- InChI
- InChI=1S/C23H42O4/c1-5-6-7-8-11-18-26-22(24)15-9-10-16-23(25)27-19-17-21(4)14-12-13-20(2)3/h13,21H,5-12,14-19H2,1-4H3
- InChI Key
- RJLFNEAKYPJHFV-UHFFFAOYSA-N
- Formula
- C23H42O4
- SMILES
-
CCCCCCCOC(=O)CCCCC(=O)OCCC(C)C
CC=C(C)C - Molecular Weight1
- 382.58
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -255.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -905.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.75 | kJ/mol | Joback Calculated Property |
| log10WS | -6.79 | Crippen Calculated Property | |
| logPoct/wat | 6.376 | Crippen Calculated Property | |
| McVol | 345.510 | ml/mol | McGowan Calculated Property |
| Pc | 935.77 | kPa | Joback Calculated Property |
| Inp | 2576.00 | NIST | |
| Tboil | 881.82 | K | Joback Calculated Property |
| Tc | 1079.75 | K | Joback Calculated Property |
| Tfus | 459.25 | K | Joback Calculated Property |
| Vc | 1.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1127.93; 1224.86] | J/mol×K | [881.82; 1079.75] | 
|
| Cp,gas | 1127.93 | J/mol×K | 881.82 | Joback Calculated Property |
| Cp,gas | 1146.96 | J/mol×K | 914.81 | Joback Calculated Property |
| Cp,gas | 1164.79 | J/mol×K | 947.80 | Joback Calculated Property |
| Cp,gas | 1181.46 | J/mol×K | 980.79 | Joback Calculated Property |
| Cp,gas | 1197.00 | J/mol×K | 1013.77 | Joback Calculated Property |
| Cp,gas | 1211.45 | J/mol×K | 1046.76 | Joback Calculated Property |
| Cp,gas | 1224.86 | J/mol×K | 1079.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, «beta»-citronellyl heptyl ester.
Sources
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