- InChI
- InChI=1S/C17H21ClO4/c1-12(2)5-4-10-21-16(19)8-9-17(20)22-15-11-13(3)6-7-14(15)18/h6-9,11-12H,4-5,10H2,1-3H3/b9-8+
- InChI Key
- TYLIIEZFLRWKOL-CMDGGOBGSA-N
- Formula
- C17H21ClO4
- SMILES
-
Cc1ccc(Cl)c(OC(=O)C=CC(=O)OCCC
C(C)C)c1 - Molecular Weight1
- 324.80
- 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° | -216.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.30 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 4.089 | Crippen Calculated Property | |
| McVol | 249.450 | ml/mol | McGowan Calculated Property |
| Pc | 1687.95 | kPa | Joback Calculated Property |
| Inp | [2303.00; 2303.00] |
|
|
| Inp | 2303.00 | NIST | |
| Inp | 2303.00 | NIST | |
| Tboil | 818.73 | K | Joback Calculated Property |
| Tc | 1032.21 | K | Joback Calculated Property |
| Tfus | 486.97 | K | Joback Calculated Property |
| Vc | 0.951 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [704.73; 773.17] | J/mol×K | [818.73; 1032.21] |
|
| Cp,gas | 704.73 | J/mol×K | 818.73 | Joback Calculated Property |
| Cp,gas | 718.60 | J/mol×K | 854.31 | Joback Calculated Property |
| Cp,gas | 731.45 | J/mol×K | 889.89 | Joback Calculated Property |
| Cp,gas | 743.31 | J/mol×K | 925.47 | Joback Calculated Property |
| Cp,gas | 754.19 | J/mol×K | 961.05 | Joback Calculated Property |
| Cp,gas | 764.14 | J/mol×K | 996.63 | Joback Calculated Property |
| Cp,gas | 773.17 | J/mol×K | 1032.21 | Joback Calculated Property |
| η | [0.0000583; 0.0005815] | Pa×s | [486.97; 818.73] |
|
| η | 0.0005815 | Pa×s | 486.97 | Joback Calculated Property |
| η | 0.0003260 | Pa×s | 542.26 | Joback Calculated Property |
| η | 0.0002034 | Pa×s | 597.56 | Joback Calculated Property |
| η | 0.0001375 | Pa×s | 652.85 | Joback Calculated Property |
| η | 0.0000988 | Pa×s | 708.14 | Joback Calculated Property |
| η | 0.0000745 | Pa×s | 763.44 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 818.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-chloro-5-methylphenyl isohexyl ester.
Sources
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