- InChI
- InChI=1S/C17H21ClO4/c1-3-4-5-6-13(2)21-16(19)11-12-17(20)22-15-9-7-14(18)8-10-15/h7-13H,3-6H2,1-2H3/b12-11+
- InChI Key
- FJYCRCIXAJCGDN-VAWYXSNFSA-N
- Formula
- C17H21ClO4
- SMILES
-
CCCCCC(C)OC(=O)C=CC(=O)Oc1ccc(
Cl)cc1 - 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° | -206.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.64 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 4.314 | Crippen Calculated Property | |
| McVol | 249.450 | ml/mol | McGowan Calculated Property |
| Pc | 1708.95 | kPa | Joback Calculated Property |
| Inp | [2276.00; 2276.00] |
|
|
| Inp | 2276.00 | NIST | |
| Inp | 2276.00 | NIST | |
| Tboil | 813.75 | K | Joback Calculated Property |
| Tc | 1026.45 | K | Joback Calculated Property |
| Tfus | 474.45 | K | Joback Calculated Property |
| Vc | 0.951 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [705.84; 774.82] | J/mol×K | [813.75; 1026.45] |
|
| Cp,gas | 705.84 | J/mol×K | 813.75 | Joback Calculated Property |
| Cp,gas | 719.79 | J/mol×K | 849.20 | Joback Calculated Property |
| Cp,gas | 732.71 | J/mol×K | 884.65 | Joback Calculated Property |
| Cp,gas | 744.65 | J/mol×K | 920.10 | Joback Calculated Property |
| Cp,gas | 755.62 | J/mol×K | 955.55 | Joback Calculated Property |
| Cp,gas | 765.67 | J/mol×K | 991.00 | Joback Calculated Property |
| Cp,gas | 774.82 | J/mol×K | 1026.45 | Joback Calculated Property |
| η | [0.0000577; 0.0006850] | Pa×s | [474.45; 813.75] |
|
| η | 0.0006850 | Pa×s | 474.45 | Joback Calculated Property |
| η | 0.0003641 | Pa×s | 531.00 | Joback Calculated Property |
| η | 0.0002186 | Pa×s | 587.55 | Joback Calculated Property |
| η | 0.0001435 | Pa×s | 644.10 | Joback Calculated Property |
| η | 0.0001009 | Pa×s | 700.65 | Joback Calculated Property |
| η | 0.0000747 | Pa×s | 757.20 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 813.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-chlorophenyl hept-2-yl ester.
Sources
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