- InChI
- InChI=1S/C22H40O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h19-20H,3-18H2,1-2H3
- InChI Key
- JYNJINSLEOLPPO-UHFFFAOYSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCCCOC(=O)C1CCCCC1C(=O)OCCC
CCCC - Molecular Weight1
- 368.55
- 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° | -316.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -953.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.17 | Crippen Calculated Property | |
| logPoct/wat | 5.820 | Crippen Calculated Property | |
| McVol | 324.860 | ml/mol | McGowan Calculated Property |
| Pc | 1063.79 | kPa | Joback Calculated Property |
| Inp | 2517.00 | NIST | |
| Tboil | 870.22 | K | Joback Calculated Property |
| Tc | 1069.14 | K | Joback Calculated Property |
| Tfus | 485.16 | K | Joback Calculated Property |
| Vc | 1.248 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1093.02; 1188.68] | J/mol×K | [870.22; 1069.14] | 
|
| Cp,gas | 1093.02 | J/mol×K | 870.22 | Joback Calculated Property |
| Cp,gas | 1112.49 | J/mol×K | 903.37 | Joback Calculated Property |
| Cp,gas | 1130.52 | J/mol×K | 936.53 | Joback Calculated Property |
| Cp,gas | 1147.13 | J/mol×K | 969.68 | Joback Calculated Property |
| Cp,gas | 1162.35 | J/mol×K | 1002.83 | Joback Calculated Property |
| Cp,gas | 1176.19 | J/mol×K | 1035.99 | Joback Calculated Property |
| Cp,gas | 1188.68 | J/mol×K | 1069.14 | Joback Calculated Property |
| η | [0.0000534; 0.0008194] | Pa×s | [485.16; 870.22] |
|
| η | 0.0008194 | Pa×s | 485.16 | Joback Calculated Property |
| η | 0.0003983 | Pa×s | 549.34 | Joback Calculated Property |
| η | 0.0002252 | Pa×s | 613.51 | Joback Calculated Property |
| η | 0.0001418 | Pa×s | 677.69 | Joback Calculated Property |
| η | 0.0000968 | Pa×s | 741.87 | Joback Calculated Property |
| η | 0.0000702 | Pa×s | 806.04 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 870.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, diheptyl ester.
Sources
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