- InChI
- InChI=1S/C20H28O4/c1-2-3-13-23-19(21)17-10-7-11-18(15-17)20(22)24-14-12-16-8-5-4-6-9-16/h7,10-11,15-16H,2-6,8-9,12-14H2,1H3
- InChI Key
- PJRATHBOAVZSLU-UHFFFAOYSA-N
- Formula
- C20H28O4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)OCCC2CCC
CC2)c1 - Molecular Weight1
- 332.43
- 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° | -223.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -666.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.79 | kJ/mol | Joback Calculated Property |
| log10WS | -5.80 | Crippen Calculated Property | |
| logPoct/wat | 4.771 | Crippen Calculated Property | |
| McVol | 272.920 | ml/mol | McGowan Calculated Property |
| Pc | 1568.47 | kPa | Joback Calculated Property |
| Inp | [2642.00; 2642.00] |
|
|
| Inp | 2642.00 | NIST | |
| Inp | 2642.00 | NIST | |
| Tboil | 860.79 | K | Joback Calculated Property |
| Tc | 1080.02 | K | Joback Calculated Property |
| Tfus | 505.80 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [872.90; 953.07] | J/mol×K | [860.79; 1080.02] |
|
| Cp,gas | 872.90 | J/mol×K | 860.79 | Joback Calculated Property |
| Cp,gas | 889.87 | J/mol×K | 897.33 | Joback Calculated Property |
| Cp,gas | 905.35 | J/mol×K | 933.87 | Joback Calculated Property |
| Cp,gas | 919.38 | J/mol×K | 970.41 | Joback Calculated Property |
| Cp,gas | 931.98 | J/mol×K | 1006.95 | Joback Calculated Property |
| Cp,gas | 943.20 | J/mol×K | 1043.49 | Joback Calculated Property |
| Cp,gas | 953.07 | J/mol×K | 1080.02 | Joback Calculated Property |
| η | [0.0000568; 0.0006749] | Pa×s | [505.80; 860.79] |
|
| η | 0.0006749 | Pa×s | 505.80 | Joback Calculated Property |
| η | 0.0003599 | Pa×s | 564.97 | Joback Calculated Property |
| η | 0.0002162 | Pa×s | 624.13 | Joback Calculated Property |
| η | 0.0001419 | Pa×s | 683.29 | Joback Calculated Property |
| η | 0.0000996 | Pa×s | 742.46 | Joback Calculated Property |
| η | 0.0000736 | Pa×s | 801.62 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 860.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 2-cyclohexylethyl ester.
Sources
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