- InChI
- InChI=1S/C21H30O5/c1-3-4-5-8-15-25-20(22)18-9-6-7-10-19(18)21(23)26-17-13-11-16(24-2)12-14-17/h11-14,18-19H,3-10,15H2,1-2H3
- InChI Key
- WVKDJCQEQDGWPJ-UHFFFAOYSA-N
- Formula
- C21H30O5
- SMILES
-
CCCCCCOC(=O)C1CCCCC1C(=O)Oc1cc
c(OC)cc1 - Molecular Weight1
- 362.46
- 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° | -327.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.12 | kJ/mol | Joback Calculated Property |
| log10WS | -5.20 | Crippen Calculated Property | |
| logPoct/wat | 4.530 | Crippen Calculated Property | |
| McVol | 292.880 | ml/mol | McGowan Calculated Property |
| Pc | 1401.69 | kPa | Joback Calculated Property |
| Inp | [2701.00; 2701.00] |
|
|
| Inp | 2701.00 | NIST | |
| Inp | 2701.00 | NIST | |
| Tboil | 901.42 | K | Joback Calculated Property |
| Tc | 1119.46 | K | Joback Calculated Property |
| Tfus | 535.06 | K | Joback Calculated Property |
| Vc | 1.101 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [965.93; 1039.33] | J/mol×K | [901.42; 1119.46] |
|
| Cp,gas | 965.93 | J/mol×K | 901.42 | Joback Calculated Property |
| Cp,gas | 982.29 | J/mol×K | 937.76 | Joback Calculated Property |
| Cp,gas | 996.98 | J/mol×K | 974.10 | Joback Calculated Property |
| Cp,gas | 1010.02 | J/mol×K | 1010.44 | Joback Calculated Property |
| Cp,gas | 1021.42 | J/mol×K | 1046.78 | Joback Calculated Property |
| Cp,gas | 1031.18 | J/mol×K | 1083.12 | Joback Calculated Property |
| Cp,gas | 1039.33 | J/mol×K | 1119.46 | Joback Calculated Property |
| η | [0.0000482; 0.0004725] | Pa×s | [535.06; 901.42] |
|
| η | 0.0004725 | Pa×s | 535.06 | Joback Calculated Property |
| η | 0.0002658 | Pa×s | 596.12 | Joback Calculated Property |
| η | 0.0001664 | Pa×s | 657.18 | Joback Calculated Property |
| η | 0.0001128 | Pa×s | 718.24 | Joback Calculated Property |
| η | 0.0000813 | Pa×s | 779.30 | Joback Calculated Property |
| η | 0.0000614 | Pa×s | 840.36 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 901.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexyl 4-methoxyphenyl ester.
Sources
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