Benzene-hexa-n-heptanoate
- Formula: C48H78O12
- Molecular weight: 847.1257
- IUPAC Standard InChI: InChI=1S/C48H78O12/c1-7-13-19-25-31-37(49)55-43-44(56-38(50)32-26-20-14-8-2)46(58-40(52)34-28-22-16-10-4)48(60-42(54)36-30-24-18-12-6)47(59-41(53)35-29-23-17-11-5)45(43)57-39(51)33-27-21-15-9-3/h7-36H2,1-6H3
- IUPAC Standard InChIKey: XSMGMVIWGWBNBA-UHFFFAOYSA-N
- CAS Registry Number: 65201-70-9
- Chemical structure:
This structure is also available as a 2d Mol file - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- 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.
Condensed phase thermochemistry data
Go To: Top, Phase change data, 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: Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°solid,1 bar | 1530.1 | J/mol*K | N/A | Sorai and Suga, 1981 |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 1505.0 | 298.15 | Sorai and Suga, 1981 | T = 13 to 393 K. |
| 1500. | 300. | Sorai, Tsuji, et al., 1979 | T = 13 to 393 K. Data given graphically. Cp value is a graphical estimate. |
Phase change data
Go To: Top, Condensed phase thermochemistry data, 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: Eugene S. Domalski and Elizabeth D. Hearing
Temperature of phase transition
| Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|
| 222.80 | crystaline, III | crystaline, II | Sorai and Suga, 1981 | Anomalous transition. c,II/c,I 230.81 K First order transition. |
| 222.80 | crystaline, III | crystaline, II | Sorai, Tsuji, et al., 1979 |
Enthalpy of phase transition
| ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 1.120 | 129. | crystaline, IV | crystaline, III | Sorai and Suga, 1981 | |
| 32.210 | 353.79 | crystaline, I | Sorai and Suga, 1981 | ||
| 21.540 | 359.28 | Sorai and Suga, 1981 | Triple point is 353.81 K. | ||
| 1.120 | 129. | crystaline, IV | crystaline, III | Sorai, Tsuji, et al., 1979 | |
| 11.500 | 230.81 | crystaline, II | crystaline, I | Sorai, Tsuji, et al., 1979 | Combination of transition c,III/c,II and c,II/c,I. |
| 32.210 | 353.79 | crystaline, I | liquid | Sorai, Tsuji, et al., 1979 | |
| 21.540 | 359.28 | liquid | liquid | Sorai, Tsuji, et al., 1979 |
Entropy of phase transition
| ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 8.46 | 129. | crystaline, IV, Anomalous or diffuse first | crystaline, III, order transition | Sorai and Suga, 1981 | |
| 91.08 | 353.79 | crystaline, I | Sorai and Suga, 1981 | ||
| 59.93 | 359.28 | Sorai and Suga, 1981 | Triple | ||
| 8.46 | 129. | crystaline, IV | crystaline, III | Sorai, Tsuji, et al., 1979 | |
| 50.44 | 230.81 | crystaline, II | crystaline, I | Sorai, Tsuji, et al., 1979 | Combination |
| 91.08 | 353.79 | crystaline, I, Solid | liquid, mesophase | Sorai, Tsuji, et al., 1979 | |
| 59.93 | 359.28 | liquid, Mesophase | liquid, liquid transition | Sorai, Tsuji, et al., 1979 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sorai and Suga, 1981
Sorai, M.; Suga, H.,
Studies on mesogenic disc-like molecules. II. Heat capacity of benzene-hexa-n-heptanoate from 13 to 393 K,
Mol. Cryst. Liq. Cryst., 1981, 73, 47-69. [all data]
Sorai, Tsuji, et al., 1979
Sorai, M.; Tsuji, K.; Suga, H.; Seki, S.,
Heat capacities of a disc-like mesogen and its precursor having a structure of benzene hexa-n-alkanoate (C6(OCO-n-CmH2m+1)6),
Liq. Cryst., 1979, Proc. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Ttrs Temperature of phase transition ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition - 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.