- InChI
- InChI=1S/C21H29ClO4/c1-2-19(18-12-8-7-9-13-18)26-21(24)15-14-20(23)25-17-11-6-4-3-5-10-16-22/h7-9,12-15,19H,2-6,10-11,16-17H2,1H3/b15-14+
- InChI Key
- XGBIGPAZRGKFGQ-CCEZHUSRSA-N
- Formula
- C21H29ClO4
- SMILES
-
CCC(OC(=O)C=CC(=O)OCCCCCCCCCl)
c1ccccc1 - Molecular Weight1
- 380.91
- 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° | -163.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.88 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 5.360 | Crippen Calculated Property | |
| McVol | 305.810 | ml/mol | McGowan Calculated Property |
| Pc | 1286.51 | kPa | Joback Calculated Property |
| Inp | [2790.00; 2790.00] |
|
|
| Inp | 2790.00 | NIST | |
| Inp | 2790.00 | NIST | |
| Tboil | 900.29 | K | Joback Calculated Property |
| Tc | 1111.07 | K | Joback Calculated Property |
| Tfus | 507.01 | K | Joback Calculated Property |
| Vc | 1.175 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [938.02; 1011.64] | J/mol×K | [900.29; 1111.07] |
|
| Cp,gas | 938.02 | J/mol×K | 900.29 | Joback Calculated Property |
| Cp,gas | 952.95 | J/mol×K | 935.42 | Joback Calculated Property |
| Cp,gas | 966.75 | J/mol×K | 970.55 | Joback Calculated Property |
| Cp,gas | 979.46 | J/mol×K | 1005.68 | Joback Calculated Property |
| Cp,gas | 991.15 | J/mol×K | 1040.81 | Joback Calculated Property |
| Cp,gas | 1001.86 | J/mol×K | 1075.94 | Joback Calculated Property |
| Cp,gas | 1011.64 | J/mol×K | 1111.07 | Joback Calculated Property |
| η | [0.0000321; 0.0005241] | Pa×s | [507.01; 900.29] |
|
| η | 0.0005241 | Pa×s | 507.01 | Joback Calculated Property |
| η | 0.0002520 | Pa×s | 572.56 | Joback Calculated Property |
| η | 0.0001408 | Pa×s | 638.10 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 703.65 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 769.20 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 834.74 | Joback Calculated Property |
| η | 0.0000321 | Pa×s | 900.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl 8-chlorooctyl ester.
Sources
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