- InChI
- InChI=1S/C21H36O4/c1-15(2)9-8-14-24-20(22)17-11-5-6-12-18(17)21(23)25-19-13-7-4-10-16(19)3/h15-19H,4-14H2,1-3H3
- InChI Key
- SWXNIJYBJZYDKA-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CC(C)CCCOC(=O)C1CCCCC1C(=O)OC1
CCCCC1C - Molecular Weight1
- 352.51
- 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° | -310.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -903.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 4.894 | Crippen Calculated Property | |
| McVol | 299.910 | ml/mol | McGowan Calculated Property |
| Pc | 1284.67 | kPa | Joback Calculated Property |
| Inp | 2378.00 | NIST | |
| Tboil | 861.78 | K | Joback Calculated Property |
| Tc | 1076.90 | K | Joback Calculated Property |
| Tfus | 462.03 | K | Joback Calculated Property |
| Vc | 1.117 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.18; 1128.96] | J/mol×K | [861.78; 1076.90] | 
|
| Cp,gas | 1032.18 | J/mol×K | 861.78 | Joback Calculated Property |
| Cp,gas | 1052.84 | J/mol×K | 897.63 | Joback Calculated Property |
| Cp,gas | 1071.67 | J/mol×K | 933.49 | Joback Calculated Property |
| Cp,gas | 1088.67 | J/mol×K | 969.34 | Joback Calculated Property |
| Cp,gas | 1103.87 | J/mol×K | 1005.19 | Joback Calculated Property |
| Cp,gas | 1117.30 | J/mol×K | 1041.05 | Joback Calculated Property |
| Cp,gas | 1128.96 | J/mol×K | 1076.90 | Joback Calculated Property |
| η | [0.0000757; 0.0012780] | Pa×s | [462.03; 861.78] |
|
| η | 0.0012780 | Pa×s | 462.03 | Joback Calculated Property |
| η | 0.0005929 | Pa×s | 528.65 | Joback Calculated Property |
| η | 0.0003267 | Pa×s | 595.28 | Joback Calculated Property |
| η | 0.0002030 | Pa×s | 661.90 | Joback Calculated Property |
| η | 0.0001376 | Pa×s | 728.53 | Joback Calculated Property |
| η | 0.0000995 | Pa×s | 795.15 | Joback Calculated Property |
| η | 0.0000757 | Pa×s | 861.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isohexyl 2-methylcyclohexyl ester.
Sources
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