Octanal
- Formula: C8H16O
- Molecular weight: 128.2120
- IUPAC Standard InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
- IUPAC Standard InChIKey: NUJGJRNETVAIRJ-UHFFFAOYSA-N
- CAS Registry Number: 124-13-0
- 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: n-Caprylaldehyde; n-Octaldehyde; n-Octanal; n-Octylal; Antifoam-LF; Caprylaldehyde; Caprylic aldehyde; Octaldehyde; Octanaldehyde; Octanoic aldehyde; Octylaldehyde; 1-Octanal; n-Octyl aldehyde; Aldehyde C-8; C-8 Aldehyde; NSC 1508
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -69.77 ± 0.67 | kcal/mol | Ccr | Geiseler and Ratzsch, 1965 |
Condensed phase thermochemistry data
Go To: Top, Gas 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -1218.94 | kcal/mol | Ccr | Geiseler and Ratzsch, 1965 | Corresponding ΔfHºliquid = -79.99 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 87.33 | cal/mol*K | N/A | D'yakova and Vasil'ev, 1982 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 444.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 441.65 | K | N/A | Gaiffe and Palland, 1962 | Uncertainty assigned by TRC = 3. K; TRC |
| Tboil | 445.15 | K | N/A | Harries, 1916 | Uncertainty assigned by TRC = 3. K; TRC |
| Tboil | 441.65 | K | N/A | Sabatier and Mailhe, 1914 | Uncertainty assigned by TRC = 3. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 247.72 | K | N/A | Vasil'ev and Petrov, 1984 | Uncertainty assigned by TRC = 0.1 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 639.3 | K | N/A | Gude and Teja, 1994 | Uncertainty assigned by TRC = 0.3 K; by the sealed ampule method; TRC |
| Tc | 638.1 | K | N/A | Teja and Rosenthal, 1990 | Uncertainty assigned by TRC = 0.8 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Pc | 29.21 | atm | N/A | Teja and Rosenthal, 1990 | Uncertainty assigned by TRC = 0.49 atm; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ρc | 2.05 | mol/l | N/A | Gude and Teja, 1994 | Uncertainty assigned by TRC = 0.03 mol/l; by the sealed ampule method; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 12.2 ± 0.07 | kcal/mol | GS | Verevkin, Krasnykh, et al., 2003 | Based on data from 277. to 310. K.; AC |
| ΔvapH° | 12.9 | kcal/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 313. to 353. K.; AC |
| ΔvapH° | 12.3 ± 0.05 | kcal/mol | N/A | D'yakova, Korichev, et al., 1981 | AC |
| ΔvapH° | 10.28 ± 0.05 | kcal/mol | V | Geiseler and Ratzsch, 1965 | ALS |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 345.2 | 0.026 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 10.4 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. to 438. K.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 6.181 | 288.2 | D'yakova and Vasil'ev, 1980 | AC |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 6.1807 | 247.72 | crystaline, I | liquid | D'yakova and Vasil'ev, 1980 | 98.01 mol% purity.; DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 24.95 | 247.72 | crystaline, I | liquid | D'yakova and Vasil'ev, 1980 | 98.01; DH |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
| 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 |
| Source reference | No.20675 (NIST/EPA/NIH MS Database) |
| State | gas |
| Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
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 | Japan AIST/NIMC Database- Spectrum MS-NW-2944 |
| NIST MS number | 230512 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
Geiseler and Ratzsch, 1965
Geiseler, V.G.; Ratzsch, M.,
Bildungsenthalpien stellungsisomerer n-Alkanderivate. 1. Mitteilung: Bildungsenthalpien des Octanals und der drei isomeren Octanone,
Ber. Bunsen-Ges. Phys. Chem., 1965, 69, 485-488. [all data]
D'yakova and Vasil'ev, 1982
D'yakova, G.N.; Vasil'ev, I.A.,
Thermodynamic properties of aliphatic aldehydes, 1982, Termodin. [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]
Gaiffe and Palland, 1962
Gaiffe, A.; Palland, R.,
C. R. Hebd. Seances Acad. Sci., 1962, 254, 3099. [all data]
Harries, 1916
Harries, C.D.,
Ozone and Its Action on Organic Compound, 1916. [all data]
Sabatier and Mailhe, 1914
Sabatier, P.; Mailhe, A.,
C. R. Hebd. Seances Acad. Sci., 1914, 158, 985. [all data]
Vasil'ev and Petrov, 1984
Vasil'ev, I.A.; Petrov, V.M.,
Thermodynamic Properties of Oxygen-containing Organic Compounds, Handbook, Soedinenii: Khimya, Leningrad, p 240, 1984. [all data]
Gude and Teja, 1994
Gude, M.T.; Teja, A.S.,
The Critical Properties of Several n-Alkanals, Tetralin and NMP,
Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Series No. 2, p.174-83. [all data]
Teja and Rosenthal, 1990
Teja, A.S.; Rosenthal, D.J.,
The Critical Pressures and Temperatures of Twelve Substances Using A Low Residence Time Flow Apparatus,
AIChE Symp. Ser., 1990, 86, 279, 133-7. [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]
Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G.,
Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times,
Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3
. [all data]
D'yakova, Korichev, et al., 1981
D'yakova, G.N.; Korichev, G.L.; Korkhova, A.D.; Vasil'eva, T.F.; Vasil'ev, I.A.,
Zh. Prikl. Khim. (Leningrad), 1981, 54, 1644. [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]
D'yakova and Vasil'ev, 1980
D'yakova, G.N.; Vasil'ev, I.A.,
Study of the thermodynamic properties of octanal and decanal,
B.S.R. Inst. Neftekhim. Protsessov (Leningrad), 1980, (1), 51. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.