- InChI
- InChI=1S/C22H32O4/c1-2-3-9-16-25-21(23)19-14-7-8-15-20(19)22(24)26-17-10-13-18-11-5-4-6-12-18/h4-6,11-12,19-20H,2-3,7-10,13-17H2,1H3
- InChI Key
- XNGQHDLQLBWWOB-UHFFFAOYSA-N
- Formula
- C22H32O4
- SMILES
-
CCCCCOC(=O)C1CCCCC1C(=O)OCCCc1
ccccc1 - Molecular Weight1
- 360.49
- 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° | -204.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.27 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 4.702 | Crippen Calculated Property | |
| McVol | 301.100 | ml/mol | McGowan Calculated Property |
| Pc | 1336.86 | kPa | Joback Calculated Property |
| Inp | [2648.00; 2648.00] |
|
|
| Inp | 2648.00 | NIST | |
| Inp | 2648.00 | NIST | |
| Tboil | 896.90 | K | Joback Calculated Property |
| Tc | 1113.61 | K | Joback Calculated Property |
| Tfus | 511.58 | K | Joback Calculated Property |
| Vc | 1.139 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.41; 1078.07] | J/mol×K | [896.90; 1113.61] |
|
| Cp,gas | 997.41 | J/mol×K | 896.90 | Joback Calculated Property |
| Cp,gas | 1014.69 | J/mol×K | 933.02 | Joback Calculated Property |
| Cp,gas | 1030.39 | J/mol×K | 969.14 | Joback Calculated Property |
| Cp,gas | 1044.54 | J/mol×K | 1005.25 | Joback Calculated Property |
| Cp,gas | 1057.18 | J/mol×K | 1041.37 | Joback Calculated Property |
| Cp,gas | 1068.35 | J/mol×K | 1077.49 | Joback Calculated Property |
| Cp,gas | 1078.07 | J/mol×K | 1113.61 | Joback Calculated Property |
| η | [0.0000549; 0.0006985] | Pa×s | [511.58; 896.90] |
|
| η | 0.0006985 | Pa×s | 511.58 | Joback Calculated Property |
| η | 0.0003609 | Pa×s | 575.80 | Joback Calculated Property |
| η | 0.0002129 | Pa×s | 640.02 | Joback Calculated Property |
| η | 0.0001383 | Pa×s | 704.24 | Joback Calculated Property |
| η | 0.0000965 | Pa×s | 768.46 | Joback Calculated Property |
| η | 0.0000712 | Pa×s | 832.68 | Joback Calculated Property |
| η | 0.0000549 | Pa×s | 896.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, pentyl 3-phenylpropyl ester.
Sources
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