Acetic acid, heptyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI: InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
- IUPAC Standard InChIKey: ZCZSIDMEHXZRLG-UHFFFAOYSA-N
- CAS Registry Number: 112-06-1
- 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-Heptyl acetate; Heptyl acetate; 1-Heptyl acetate; Heptanyl acetate; Acetic acid n-heptyl ester; n-Heptyl ethanoate; Acetate C-7; Heptanol acetate
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Phase change data
Go To: Top, 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
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 501. | K | N/A | Nayanov, Zorin, et al., 1976 | Uncertainty assigned by TRC = 3. K; TRC |
| Tboil | 464. | K | N/A | Engelhard, Schilfarth, et al., 1949 | Uncertainty assigned by TRC = 3. K; TRC |
| Tboil | 465.60 | K | N/A | Bilterys and Gisseleire, 1935 | Uncertainty assigned by TRC = 0.3 K; TRC |
| Tboil | 464.5 | K | N/A | Gartenmeister, 1886 | Uncertainty assigned by TRC = 1.5 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 223.0 | K | N/A | Bilterys and Gisseleire, 1935 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 13.6 ± 0.05 | kcal/mol | GS | Krasnykh, Verevkin, et al., 2006 | Based on data from 274. to 306. K.; AC |
| ΔvapH° | 13.6 | kcal/mol | GC | Koutek, Hoskovec, et al., 1997 | AC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.8 | 402. | DTA | Meyer, Awe, et al., 1980 | Based on data from 387. to 478. K.; AC |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nayanov, Zorin, et al., 1976
Nayanov, V.P.; Zorin, V.V.; Zlotskii, S.S.; Rakhmankulov, D.L.,
Identification of Cyclic Acetates and Isomeric Esters by Gas-Liquid Chromatography,
Zh. Prikl. Khim. (Leningrad), 1976, 49, 2350. [all data]
Engelhard, Schilfarth, et al., 1949
Engelhard, H.; Schilfarth, H.; Kaul, H.G.,
The Surface Tension of Aliphatic Oxyesters,
Justys Liebigs Ann. Chem., 1949, 563, 239-44. [all data]
Bilterys and Gisseleire, 1935
Bilterys, R.; Gisseleire, J.,
Investigations on the Congelation Temperature of Organic Compounds,
Bull. Soc. Chim. Belg., 1935, 44, 567. [all data]
Gartenmeister, 1886
Gartenmeister, R.,
Investigation of the physical characterstics of liquid compounds: vi boiling point and specific volume of normal fatty acid esters,
Justus Liebigs Ann. Chem., 1886, 233, 249-315. [all data]
Krasnykh, Verevkin, et al., 2006
Krasnykh, Eugen L.; Verevkin, Sergey P.; Koutek, Bohumir; Doubsky, Jan,
Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates,
The Journal of Chemical Thermodynamics, 2006, 38, 6, 717-723, https://doi.org/10.1016/j.jct.2005.08.003
. [all data]
Koutek, Hoskovec, et al., 1997
Koutek, Bohumír; Hoskovec, Michal; Vrkocová, Pavlína; Feltl, Ladislav,
Gas chromatographic determination of vapour pressures of pheromone-like compounds IV. Acetates, a reinvestigation,
Journal of Chromatography A, 1997, 759, 1-2, 93-109, https://doi.org/10.1016/S0021-9673(96)00775-3
. [all data]
Meyer, Awe, et al., 1980
Meyer, Edwin F.; Awe, Michael J.; Wagner, Robert E.,
Cohesive energies in polar organic liquids. 4. n-Alkyl acetates,
J. Chem. Eng. Data, 1980, 25, 4, 371-374, https://doi.org/10.1021/je60087a030
. [all data]
Notes
Go To: Top, Phase change data, 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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