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Vanillin
NIST Chemistry WebBook, SRD 69
Vanillin
Formula: C8H8O3
Molecular weight: 152.1473
IUPAC Standard InChI: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
IUPAC Standard InChIKey: MWOOGOJBHIARFG-UHFFFAOYSA-N
CAS Registry Number: 121-33-5
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5)
Other names: Benzaldehyde, 4-hydroxy-3-methoxy-; p-Hydroxy-m-methoxybenzaldehyde; Lioxin; Vanillaldehyde; Vanillic aldehyde; 2-Methoxy-4-formylphenol; 3-Methoxy-4hydroxybenzaldehyde; 4-Formyl-2-methoxyphenol; 4-Hydroxy-3-methoxybenzaldehyde; 4-Hydroxy-5-methoxybenzaldehyde; Vanilla; m-Anisaldehyde, 4-hydroxy-;
Protocatechualdehyde, methyl-; Zimco; 4-Hydroxy-m-anisaldehyde; p-Vanillin; m-Methoxy-p-hydroxybenzaldehyde; Methylprotocatechuic aldehyde; Vanilin; NSC 15351;
Methylprotcatechuic aldehyde; 4-hydroxy-3-methoxybenzaldehyde (vanillin); vanillin (3-methoxy-4-hydroxy- benzaldehyde); 3-Methoxy-4-hydroxybenzaldehyde (vanillin)
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Condensed phase thermochemistry data
Phase change data
IR Spectrum
Mass spectrum (electron ionization)
UV/Visible spectrum
References
Notes
Other data available:
Gas Chromatography
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NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
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Condensed phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity Value Units Method
ΔcH°solid -3828. kJ/mol
Ccb
Reference
Swietoslawski and
Starczewska, 1928
Comment
Heat of combustion corrected for constant pressure; Corresponding ΔfHºsolid = -463.6 kJ/mol (simple calculation by
NIST; no Washburn corrections)
Phase change data
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity
Tfus
Quantity
ΔvapH°
Value
Units Method
355.1 ± 0.9
Value
K
AVG
Reference
N/A
Units Method
66.9 kJ/mol
GC
Comment
Average of 7 values; Individual data points
Reference
Comment
Hoskovec, Grygarová, et al., 2005 Based on data from 353. to 463. K.; AC
Reduced pressure boiling point
Tboil (K) Pressure (bar)
443.2
Reference
Comment
0.020 Weast and Grasselli, 1989 BS
Enthalpy of vaporization
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ΔvapH (kJ/mol) Temperature (K) Method
66.9
395.
A
Reference
Comment
Stephenson and Malanowski, 1987 Based on data from 380. to 558. K. See also Stull, 1947.; AC
Enthalpy of sublimation
ΔsubH (kJ/mol) Temperature (K)
88.7
Reference
Comment
323. Serpinskii, Voitkevich, et al., 1953 Based on data from 293. to 353. K. See also Jones, 1960.; AC
Enthalpy of fusion
ΔfusH (kJ/mol) Temperature (K) Method
22.4
355.4
N/A
Reference
Comment
Temprado, Roux, et al., 2008 AC
In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical
property data is available from the following TRC products:
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SRD 147 – Ionic Liquids Database
SRD 156 – Clathrate Hydrate Physical Property Database
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
Data compiled by: Coblentz Society, Inc.
SOLID (KBr PELLET); PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
SOLID (MINERAL OIL MULL); PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
gas
Mass spectrum (electron ionization)
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Vanillin
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Plot
Help / Software credits
Vanillin
Uv/vis Spectrum
4.25
4.00
Logarithm epsilon
3.75
3.50
3.25
3.00
2.75
2.50
230
240
250
260
270
280
290
300
310
320
330
340
350
Wavelength (nm)
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner
NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin
NIST Mass Spectrometry Data Center, 1998.
NIST MS number 290719
All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the
following for information about the library and its accompanying search program.
UV/Visible spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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Download spectrum in JCAMP-DX format.
Source
Robinson and Kiang, 1955
Owner
INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin
INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 3633
Instrument
n.i.g.
Melting point
81.5
Boiling point
285
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References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Swietoslawski and Starczewska, 1928
Swietoslawski, W.; Starczewska, H., Influence of certain corrections on the results of measurements of the heat of combustion of organic substances, Bull. Int. Acad. Pol. Sci. Lett. Cl. Med.,
1928, 85-97. [all data]
Hoskovec, Grygarová, et al., 2005
Hoskovec, Michal; Grygarová, Dana; Cvacka, Josef; Streinz, Ludvík; Zima, Jirí; Verevkin, Sergey P.; Koutek, Bohumír, Determining the vapour pressures of plant volatiles from gas
chromatographic retention data, Journal of Chromatography A, 2005, 1083, 1-2, 161-172, https://doi.org/10.1016/j.chroma.2005.06.006 . [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]
Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]
Serpinskii, Voitkevich, et al., 1953
Serpinskii, V.V.; Voitkevich, S.A.; Lyuboshits, N.Y., Zh. Fiz. Khim., 1953, 27, 1032. [all data]
Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]
Temprado, Roux, et al., 2008
Temprado, M.; Roux, María Victoria; Chickos, J.S., Some thermophysical properties of several solid aldehydes, J Therm Anal Calorim, 2008, 94, 1, 257-262, https://doi.org/10.1007/s10973007-8883-0 . [all data]
Robinson and Kiang, 1955
Robinson, R.A.; Kiang, A.K., Trans. Faraday Soc., 1955, 51, 1398. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
Symbols used in this document:
https://webbook.nist.gov/cgi/cbook.cgi?ID=C121335&Mask=FFF
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Vanillin
Tboil
Boiling point
Tfus
Fusion (melting) point
ΔcH°solid
Enthalpy of combustion of solid at standard conditions
ΔfusH
Enthalpy of fusion
ΔsubH
Enthalpy of sublimation
ΔvapH
Enthalpy of vaporization
ΔvapH°
Enthalpy of vaporization at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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