- InChI
- InChI=1S/C20H28O4/c1-3-4-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-16-10-8-9-15(2)14-16/h8-10,14,17-18H,3-7,11-13H2,1-2H3
- InChI Key
- CUROEOYOEUTLPP-UHFFFAOYSA-N
- Formula
- C20H28O4
- SMILES
-
CCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc
c(C)c1 - Molecular Weight1
- 332.43
- 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° | -230.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.48 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 4.440 | Crippen Calculated Property | |
| McVol | 272.920 | ml/mol | McGowan Calculated Property |
| Pc | 1528.27 | kPa | Joback Calculated Property |
| Inp | [2422.00; 2422.00] |
|
|
| Inp | 2422.00 | NIST | |
| Inp | 2422.00 | NIST | |
| Tboil | 856.12 | K | Joback Calculated Property |
| Tc | 1075.16 | K | Joback Calculated Property |
| Tfus | 501.56 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [876.81; 958.29] | J/mol×K | [856.12; 1075.16] |
|
| Cp,gas | 876.81 | J/mol×K | 856.12 | Joback Calculated Property |
| Cp,gas | 894.16 | J/mol×K | 892.63 | Joback Calculated Property |
| Cp,gas | 909.97 | J/mol×K | 929.13 | Joback Calculated Property |
| Cp,gas | 924.26 | J/mol×K | 965.64 | Joback Calculated Property |
| Cp,gas | 937.07 | J/mol×K | 1002.15 | Joback Calculated Property |
| Cp,gas | 948.40 | J/mol×K | 1038.65 | Joback Calculated Property |
| Cp,gas | 958.29 | J/mol×K | 1075.16 | Joback Calculated Property |
| η | [0.0000735; 0.0007355] | Pa×s | [501.56; 856.12] |
|
| η | 0.0007355 | Pa×s | 501.56 | Joback Calculated Property |
| η | 0.0004093 | Pa×s | 560.65 | Joback Calculated Property |
| η | 0.0002547 | Pa×s | 619.75 | Joback Calculated Property |
| η | 0.0001721 | Pa×s | 678.84 | Joback Calculated Property |
| η | 0.0001239 | Pa×s | 737.93 | Joback Calculated Property |
| η | 0.0000936 | Pa×s | 797.03 | Joback Calculated Property |
| η | 0.0000735 | Pa×s | 856.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl pentyl ester.
Sources
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