Dodecanal
- Formula: C12H24O
- Molecular weight: 184.3184
- IUPAC Standard InChIKey: HFJRKMMYBMWEAD-UHFFFAOYSA-N
- CAS Registry Number: 112-54-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Lauraldehyde; n-Dodecanal; n-Dodecyl aldehyde; n-Dodecylic aldehyde; n-Lauraldehyde; Aldehyde C-12; Dodecanaldehyde; Dodecyl aldehyde; Lauric aldehyde; Lauryl aldehyde; 1-Dodecanal; C-12 aldehyde, lauric; 1-Dodecyl aldehyde; Duodecylic aldehyde; Laurinaldehyde; Aldehyde C-12, lauric; NSC 46128
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Phase change data
Go To: Top, 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 511.15 | K | N/A | Davies and Hodgson, 1943 | Uncertainty assigned by TRC = 5. K; TRC |
Tboil | 504.15 | K | N/A | Sigmund, 1929 | Uncertainty assigned by TRC = 5. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 310. ± 30. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 16.3 ± 0.2 | kcal/mol | GS | Verevkin, Krasnykh, et al., 2003 | Based on data from 314. to 347. K.; AC |
ΔvapH° | 16.8 | kcal/mol | CGC | Koutek, Hoskovec, et al., 1996 | Based on data from 308. to 353. K. See also Ova, Koultek, et al., 2000.; AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
458.2 | 0.132 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.5 | 365. | A | Stephenson and Malanowski, 1987 | Based on data from 350. to 530. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
350.8 to 530. | 5.23670 | 2651.435 | -24.206 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
IR Spectrum
Go To: Top, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 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 |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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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, 1990. |
NIST MS number | 114782 |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Davies and Hodgson, 1943
Davies, R.R.; Hodgson, H.H.,
Catalytic Recuction fy Formic Acid Under Pressure I. The Preparation of Aldehydes From Carboxylic Acids With Titanium Dioxide as Catalyst,
J. Chem. Soc., 1943, 1943, 84. [all data]
Sigmund, 1929
Sigmund, F.,
Monatsh. Chem., 1929, 52, 185. [all data]
Verevkin, Krasnykh, et al., 2003
Verevkin, Sergey P.; Krasnykh, Eugen L.; Vasiltsova, Tatiana V.; Koutek, Bohumir; Doubsky, Jan; Heintz, Andreas,
Vapor pressures and enthalpies of vaporization of a series of the linear aliphatic aldehydes,
Fluid Phase Equilibria, 2003, 206, 1-2, 331-339, https://doi.org/10.1016/S0378-3812(03)00035-9
. [all data]
Koutek, Hoskovec, et al., 1996
Koutek, Bohumir; Hoskovec, Michal; Vrkocov, Pavlína; Konecný, Karel; Feltl, Ladislav; Vrkoc, Jan,
Gas chromatographic determination of vapour pressures of pheromone-like compounds III. Aldehydes,
Journal of Chromatography A, 1996, 719, 2, 391-400, https://doi.org/10.1016/0021-9673(95)00740-7
. [all data]
Ova, Koultek, et al., 2000
Ova, P.V.; Koultek, B.; Hoskovec, M.,
Practice Oriented Results on Use and Production of Neem Ingredients and Pheromones VI, H. Kleeberg and C.P.W. Zebitz, ed(s)., Druck and Graphic, Giessen, 2000, 211-218. [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]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point 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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