- InChI
- InChI=1S/C22H32O4/c1-4-5-6-7-13-25-21(23)18-9-8-10-19(15-18)22(24)26-20-12-11-16(2)17(3)14-20/h8-10,15-17,20H,4-7,11-14H2,1-3H3
- InChI Key
- KVZVDHRRKMLPJU-UHFFFAOYSA-N
- Formula
- C22H32O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OC2CCC
(C)C(C)C2)c1 - Molecular Weight1
- 360.49
- 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° | -221.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.63 | kJ/mol | Joback Calculated Property |
| log10WS | -6.50 | Crippen Calculated Property | |
| logPoct/wat | 5.405 | Crippen Calculated Property | |
| McVol | 301.100 | ml/mol | McGowan Calculated Property |
| Pc | 1291.14 | kPa | Joback Calculated Property |
| Inp | 2782.00 | NIST | |
| Tboil | 897.21 | K | Joback Calculated Property |
| Tc | 1114.38 | K | Joback Calculated Property |
| Tfus | 519.86 | K | Joback Calculated Property |
| Vc | 1.139 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1000.89; 1081.28] | J/mol×K | [897.21; 1114.38] | 
|
| Cp,gas | 1000.89 | J/mol×K | 897.21 | Joback Calculated Property |
| Cp,gas | 1018.37 | J/mol×K | 933.40 | Joback Calculated Property |
| Cp,gas | 1034.18 | J/mol×K | 969.60 | Joback Calculated Property |
| Cp,gas | 1048.36 | J/mol×K | 1005.79 | Joback Calculated Property |
| Cp,gas | 1060.92 | J/mol×K | 1041.99 | Joback Calculated Property |
| Cp,gas | 1071.88 | J/mol×K | 1078.18 | Joback Calculated Property |
| Cp,gas | 1081.28 | J/mol×K | 1114.38 | Joback Calculated Property |
| η | [0.0000733; 0.0006669] | Pa×s | [519.86; 897.21] |
|
| η | 0.0006669 | Pa×s | 519.86 | Joback Calculated Property |
| η | 0.0003784 | Pa×s | 582.75 | Joback Calculated Property |
| η | 0.0002398 | Pa×s | 645.64 | Joback Calculated Property |
| η | 0.0001647 | Pa×s | 708.53 | Joback Calculated Property |
| η | 0.0001203 | Pa×s | 771.43 | Joback Calculated Property |
| η | 0.0000922 | Pa×s | 834.32 | Joback Calculated Property |
| η | 0.0000733 | Pa×s | 897.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,4-dimethylcyclohexyl hexyl ester.
Sources
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