- InChI
- InChI=1S/C18H32O4/c1-5-13(6-2)21-17(19)15-11-9-10-12-16(15)18(20)22-14(7-3)8-4/h13-16H,5-12H2,1-4H3
- InChI Key
- PQRTUPNVZPSXBI-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
-
CCC(CC)OC(=O)C1CCCCC1C(=O)OC(C
C)CC - 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° | -355.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -881.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.32 | kJ/mol | Joback Calculated Property |
| log10WS | -4.72 | Crippen Calculated Property | |
| logPoct/wat | 4.256 | Crippen Calculated Property | |
| McVol | 268.500 | ml/mol | McGowan Calculated Property |
| Pc | 1406.95 | kPa | Joback Calculated Property |
| Inp | [1969.00; 1969.00] |
|
|
| Inp | 1969.00 | NIST | |
| Inp | 1969.00 | NIST | |
| Tboil | 777.82 | K | Joback Calculated Property |
| Tc | 976.97 | K | Joback Calculated Property |
| Tfus | 410.08 | K | Joback Calculated Property |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.75; 947.45] | J/mol×K | [777.82; 976.97] |
|
| Cp,gas | 849.75 | J/mol×K | 777.82 | Joback Calculated Property |
| Cp,gas | 869.25 | J/mol×K | 811.01 | Joback Calculated Property |
| Cp,gas | 887.45 | J/mol×K | 844.20 | Joback Calculated Property |
| Cp,gas | 904.36 | J/mol×K | 877.39 | Joback Calculated Property |
| Cp,gas | 919.99 | J/mol×K | 910.59 | Joback Calculated Property |
| Cp,gas | 934.35 | J/mol×K | 943.78 | Joback Calculated Property |
| Cp,gas | 947.45 | J/mol×K | 976.97 | Joback Calculated Property |
| η | [0.0000784; 0.0017505] | Pa×s | [410.08; 777.82] |
|
| η | 0.0017505 | Pa×s | 410.08 | Joback Calculated Property |
| η | 0.0007450 | Pa×s | 471.37 | Joback Calculated Property |
| η | 0.0003860 | Pa×s | 532.66 | Joback Calculated Property |
| η | 0.0002290 | Pa×s | 593.95 | Joback Calculated Property |
| η | 0.0001498 | Pa×s | 655.24 | Joback Calculated Property |
| η | 0.0001054 | Pa×s | 716.53 | Joback Calculated Property |
| η | 0.0000784 | Pa×s | 777.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(3-pentyl) ester.
Sources
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