- InChI
- InChI=1S/C20H27ClO4/c21-15-8-3-1-2-4-9-16-24-19(22)12-13-20(23)25-17-14-18-10-6-5-7-11-18/h5-7,10-13H,1-4,8-9,14-17H2/b13-12+
- InChI Key
- CJCFPTGRBPEAMS-OUKQBFOZSA-N
- Formula
- C20H27ClO4
- SMILES
-
O=C(C=CC(=O)OCCc1ccccc1)OCCCCC
CCCCl - Molecular Weight1
- 366.88
- 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° | -169.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.04 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 4.451 | Crippen Calculated Property | |
| McVol | 291.720 | ml/mol | McGowan Calculated Property |
| Pc | 1371.74 | kPa | Joback Calculated Property |
| Inp | [2802.00; 2802.00] |
|
|
| Inp | 2802.00 | NIST | |
| Inp | 2802.00 | NIST | |
| Tboil | 877.85 | K | Joback Calculated Property |
| Tc | 1086.06 | K | Joback Calculated Property |
| Tfus | 510.74 | K | Joback Calculated Property |
| Vc | 1.125 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [878.55; 951.09] | J/mol×K | [877.85; 1086.06] |
|
| Cp,gas | 878.55 | J/mol×K | 877.85 | Joback Calculated Property |
| Cp,gas | 893.16 | J/mol×K | 912.55 | Joback Calculated Property |
| Cp,gas | 906.71 | J/mol×K | 947.25 | Joback Calculated Property |
| Cp,gas | 919.23 | J/mol×K | 981.96 | Joback Calculated Property |
| Cp,gas | 930.77 | J/mol×K | 1016.66 | Joback Calculated Property |
| Cp,gas | 941.38 | J/mol×K | 1051.36 | Joback Calculated Property |
| Cp,gas | 951.09 | J/mol×K | 1086.06 | Joback Calculated Property |
| η | [0.0000406; 0.0005191] | Pa×s | [510.74; 877.85] |
|
| η | 0.0005191 | Pa×s | 510.74 | Joback Calculated Property |
| η | 0.0002705 | Pa×s | 571.92 | Joback Calculated Property |
| η | 0.0001599 | Pa×s | 633.11 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 694.29 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 755.48 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 816.66 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 877.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-phenethyl 8-chlorooctyl ester.
Sources
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