- InChI
- InChI=1S/C21H29ClO5/c1-17(2)26-18-11-7-8-12-19(18)27-21(24)14-13-20(23)25-16-10-6-4-3-5-9-15-22/h7-8,11-14,17H,3-6,9-10,15-16H2,1-2H3/b14-13+
- InChI Key
- PFPALQAZHAFJKV-BUHFOSPRSA-N
- Formula
- C21H29ClO5
- SMILES
-
CC(C)Oc1ccccc1OC(=O)C=CC(=O)OC
CCCCCCCCl - Molecular Weight1
- 396.90
- 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° | -278.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.95 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 5.058 | Crippen Calculated Property | |
| McVol | 311.680 | ml/mol | McGowan Calculated Property |
| Pc | 1257.48 | kPa | Joback Calculated Property |
| Inp | [2835.00; 2835.00] |
|
|
| Inp | 2835.00 | NIST | |
| Inp | 2835.00 | NIST | |
| Tboil | 927.69 | K | Joback Calculated Property |
| Tc | 1141.23 | K | Joback Calculated Property |
| Tfus | 541.76 | K | Joback Calculated Property |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [965.34; 1032.54] | J/mol×K | [927.69; 1141.23] |
|
| Cp,gas | 965.34 | J/mol×K | 927.69 | Joback Calculated Property |
| Cp,gas | 979.57 | J/mol×K | 963.28 | Joback Calculated Property |
| Cp,gas | 992.55 | J/mol×K | 998.87 | Joback Calculated Property |
| Cp,gas | 1004.30 | J/mol×K | 1034.46 | Joback Calculated Property |
| Cp,gas | 1014.86 | J/mol×K | 1070.05 | Joback Calculated Property |
| Cp,gas | 1024.27 | J/mol×K | 1105.64 | Joback Calculated Property |
| Cp,gas | 1032.54 | J/mol×K | 1141.23 | Joback Calculated Property |
| η | [0.0000242; 0.0003084] | Pa×s | [541.76; 927.69] |
|
| η | 0.0003084 | Pa×s | 541.76 | Joback Calculated Property |
| η | 0.0001611 | Pa×s | 606.08 | Joback Calculated Property |
| η | 0.0000953 | Pa×s | 670.40 | Joback Calculated Property |
| η | 0.0000619 | Pa×s | 734.72 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 799.05 | Joback Calculated Property |
| η | 0.0000316 | Pa×s | 863.37 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 927.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-isopropoxyphenyl 8-chlorooctyl ester.
Sources
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