- InChI
- InChI=1S/C26H32O4/c1-19(2)11-10-18-29-25(27)22-15-6-7-16-23(22)26(28)30-24-17-9-8-14-21(24)20-12-4-3-5-13-20/h3-5,8-9,12-14,17,19,22-23H,6-7,10-11,15-16,18H2,1-2H3
- InChI Key
- AANLGCSUWATOMO-UHFFFAOYSA-N
- Formula
- C26H32O4
- SMILES
-
CC(C)CCCOC(=O)C1CCCCC1C(=O)Oc1
ccccc1-c1ccccc1 - Molecular Weight1
- 408.53
- 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° | -70.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.73 | kJ/mol | Joback Calculated Property |
| log10WS | -7.44 | Crippen Calculated Property | |
| logPoct/wat | 6.045 | Crippen Calculated Property | |
| McVol | 333.700 | ml/mol | McGowan Calculated Property |
| Pc | 1280.08 | kPa | Joback Calculated Property |
| Inp | [2922.00; 2922.00] |
|
|
| Inp | 2922.00 | NIST | |
| Inp | 2922.00 | NIST | |
| Tboil | 1019.64 | K | Joback Calculated Property |
| Tc | 1260.97 | K | Joback Calculated Property |
| Tfus | 580.60 | K | Joback Calculated Property |
| Vc | 1.250 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1135.48; 1192.38] | J/mol×K | [1019.64; 1260.97] |
|
| Cp,gas | 1135.48 | J/mol×K | 1019.64 | Joback Calculated Property |
| Cp,gas | 1149.51 | J/mol×K | 1059.86 | Joback Calculated Property |
| Cp,gas | 1161.63 | J/mol×K | 1100.08 | Joback Calculated Property |
| Cp,gas | 1171.91 | J/mol×K | 1140.30 | Joback Calculated Property |
| Cp,gas | 1180.42 | J/mol×K | 1180.53 | Joback Calculated Property |
| Cp,gas | 1187.22 | J/mol×K | 1220.75 | Joback Calculated Property |
| Cp,gas | 1192.38 | J/mol×K | 1260.97 | Joback Calculated Property |
| η | [0.0000298; 0.0003774] | Pa×s | [580.60; 1019.64] |
|
| η | 0.0003774 | Pa×s | 580.60 | Joback Calculated Property |
| η | 0.0001950 | Pa×s | 653.77 | Joback Calculated Property |
| η | 0.0001151 | Pa×s | 726.95 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 800.12 | Joback Calculated Property |
| η | 0.0000523 | Pa×s | 873.29 | Joback Calculated Property |
| η | 0.0000386 | Pa×s | 946.47 | Joback Calculated Property |
| η | 0.0000298 | Pa×s | 1019.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl isohexyl ester.
Sources
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