- InChI
- InChI=1S/C16H19ClO4/c1-3-12(4-2)11-20-15(18)8-9-16(19)21-14-7-5-6-13(17)10-14/h5-10,12H,3-4,11H2,1-2H3/b9-8+
- InChI Key
- MGYNLCQPYYQLJJ-CMDGGOBGSA-N
- Formula
- C16H19ClO4
- SMILES
-
CCC(CC)COC(=O)C=CC(=O)Oc1cccc(
Cl)c1 - Molecular Weight1
- 310.77
- 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° | -215.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 3.781 | Crippen Calculated Property | |
| McVol | 235.360 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | [2174.00; 2174.00] |
|
|
| Inp | 2174.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Tboil | 790.87 | K | Joback Calculated Property |
| Tc | 1005.47 | K | Joback Calculated Property |
| Tfus | 463.18 | K | Joback Calculated Property |
| Vc | 0.894 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.19; 717.80] | J/mol×K | [790.87; 1005.47] |
|
| Cp,gas | 650.19 | J/mol×K | 790.87 | Joback Calculated Property |
| Cp,gas | 663.86 | J/mol×K | 826.64 | Joback Calculated Property |
| Cp,gas | 676.53 | J/mol×K | 862.40 | Joback Calculated Property |
| Cp,gas | 688.23 | J/mol×K | 898.17 | Joback Calculated Property |
| Cp,gas | 698.99 | J/mol×K | 933.94 | Joback Calculated Property |
| Cp,gas | 708.83 | J/mol×K | 969.71 | Joback Calculated Property |
| Cp,gas | 717.80 | J/mol×K | 1005.47 | Joback Calculated Property |
| η | [0.0000661; 0.0007540] | Pa×s | [463.18; 790.87] |
|
| η | 0.0007540 | Pa×s | 463.18 | Joback Calculated Property |
| η | 0.0004058 | Pa×s | 517.80 | Joback Calculated Property |
| η | 0.0002458 | Pa×s | 572.41 | Joback Calculated Property |
| η | 0.0001624 | Pa×s | 627.02 | Joback Calculated Property |
| η | 0.0001147 | Pa×s | 681.64 | Joback Calculated Property |
| η | 0.0000853 | Pa×s | 736.25 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 790.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-ethylbutyl 3-chlorophenyl ester.
Sources
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