- InChI
- InChI=1S/C18H32O4/c1-3-5-6-7-10-14-22-18(20)16-12-9-8-11-15(16)17(19)21-13-4-2/h15-16H,3-14H2,1-2H3
- InChI Key
- UYSJKASHSPGJPV-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
- CCCCCCCOC(=O)C1CCCCC1C(=O)OCCC
- Molecular Weight1
- 312.44
- 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° | -350.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -870.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.49 | Crippen Calculated Property | |
| logPoct/wat | 4.260 | Crippen Calculated Property | |
| McVol | 268.500 | ml/mol | McGowan Calculated Property |
| Pc | 1390.22 | kPa | Joback Calculated Property |
| Inp | [2123.00; 2123.00] |
|
|
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 778.70 | K | Joback Calculated Property |
| Tc | 973.21 | K | Joback Calculated Property |
| Tfus | 440.08 | K | Joback Calculated Property |
| Vc | 1.024 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [848.78; 944.86] | J/mol×K | [778.70; 973.21] |
|
| Cp,gas | 848.78 | J/mol×K | 778.70 | Joback Calculated Property |
| Cp,gas | 867.82 | J/mol×K | 811.12 | Joback Calculated Property |
| Cp,gas | 885.63 | J/mol×K | 843.54 | Joback Calculated Property |
| Cp,gas | 902.23 | J/mol×K | 875.95 | Joback Calculated Property |
| Cp,gas | 917.63 | J/mol×K | 908.37 | Joback Calculated Property |
| Cp,gas | 931.83 | J/mol×K | 940.79 | Joback Calculated Property |
| Cp,gas | 944.86 | J/mol×K | 973.21 | Joback Calculated Property |
| η | [0.0000926; 0.0012314] | Pa×s | [440.08; 778.70] |
|
| η | 0.0012314 | Pa×s | 440.08 | Joback Calculated Property |
| η | 0.0006262 | Pa×s | 496.52 | Joback Calculated Property |
| η | 0.0003655 | Pa×s | 552.95 | Joback Calculated Property |
| η | 0.0002358 | Pa×s | 609.39 | Joback Calculated Property |
| η | 0.0001638 | Pa×s | 665.83 | Joback Calculated Property |
| η | 0.0001205 | Pa×s | 722.26 | Joback Calculated Property |
| η | 0.0000926 | Pa×s | 778.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptyl propyl ester.
Sources
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