- InChI
- InChI=1S/C27H34O4/c1-2-3-4-5-13-20-30-26(28)23-17-9-10-18-24(23)27(29)31-25-19-12-11-16-22(25)21-14-7-6-8-15-21/h6-8,11-12,14-16,19,23-24H,2-5,9-10,13,17-18,20H2,1H3
- InChI Key
- IHVHESCBLJMSJS-UHFFFAOYSA-N
- Formula
- C27H34O4
- SMILES
-
CCCCCCCOC(=O)C1CCCCC1C(=O)Oc1c
cccc1-c1ccccc1 - Molecular Weight1
- 422.56
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -59.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -594.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.34 | kJ/mol | Joback Calculated Property |
| log10WS | -8.10 | Crippen Calculated Property | |
| logPoct/wat | 6.579 | Crippen Calculated Property | |
| McVol | 347.790 | ml/mol | McGowan Calculated Property |
| Pc | 1189.88 | kPa | Joback Calculated Property |
| Inp | [3082.00; 3082.00] |
|
|
| Inp | 3082.00 | NIST | |
| Inp | 3082.00 | NIST | |
| Tboil | 1042.96 | K | Joback Calculated Property |
| Tc | 1283.37 | K | Joback Calculated Property |
| Tfus | 606.87 | K | Joback Calculated Property |
| Vc | 1.312 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1195.91; 1251.55] | J/mol×K | [1042.96; 1283.37] |
|
| Cp,gas | 1195.91 | J/mol×K | 1042.96 | Joback Calculated Property |
| Cp,gas | 1209.67 | J/mol×K | 1083.03 | Joback Calculated Property |
| Cp,gas | 1221.54 | J/mol×K | 1123.10 | Joback Calculated Property |
| Cp,gas | 1231.59 | J/mol×K | 1163.17 | Joback Calculated Property |
| Cp,gas | 1239.89 | J/mol×K | 1203.23 | Joback Calculated Property |
| Cp,gas | 1246.52 | J/mol×K | 1243.30 | Joback Calculated Property |
| Cp,gas | 1251.55 | J/mol×K | 1283.37 | Joback Calculated Property |
| η | [0.0000282; 0.0003110] | Pa×s | [606.87; 1042.96] |
|
| η | 0.0003110 | Pa×s | 606.87 | Joback Calculated Property |
| η | 0.0001684 | Pa×s | 679.55 | Joback Calculated Property |
| η | 0.0001026 | Pa×s | 752.23 | Joback Calculated Property |
| η | 0.0000683 | Pa×s | 824.91 | Joback Calculated Property |
| η | 0.0000485 | Pa×s | 897.60 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 970.28 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 1042.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl heptyl ester.
Sources
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