- InChI
- InChI=1S/C19H17ClO4/c20-16-9-4-10-17(14-16)24-19(22)12-11-18(21)23-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-12,14H,5,8,13H2/b12-11+
- InChI Key
- XQPMESFBMBVCSK-VAWYXSNFSA-N
- Formula
- C19H17ClO4
- SMILES
-
O=C(C=CC(=O)Oc1cccc(Cl)c1)OCCC
c1ccccc1 - Molecular Weight1
- 344.79
- 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° | -75.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.76 | kJ/mol | Joback Calculated Property |
| log10WS | -4.89 | Crippen Calculated Property | |
| logPoct/wat | 3.978 | Crippen Calculated Property | |
| McVol | 253.870 | ml/mol | McGowan Calculated Property |
| Pc | 1910.24 | kPa | Joback Calculated Property |
| Inp | [2666.00; 2666.00] |
|
|
| Inp | 2666.00 | NIST | |
| Inp | 2666.00 | NIST | |
| Tboil | 886.63 | K | Joback Calculated Property |
| Tc | 1122.07 | K | Joback Calculated Property |
| Tfus | 538.41 | K | Joback Calculated Property |
| Vc | 0.961 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.77; 777.35] | J/mol×K | [886.63; 1122.07] |
|
| Cp,gas | 719.77 | J/mol×K | 886.63 | Joback Calculated Property |
| Cp,gas | 732.08 | J/mol×K | 925.87 | Joback Calculated Property |
| Cp,gas | 743.22 | J/mol×K | 965.11 | Joback Calculated Property |
| Cp,gas | 753.25 | J/mol×K | 1004.35 | Joback Calculated Property |
| Cp,gas | 762.25 | J/mol×K | 1043.59 | Joback Calculated Property |
| Cp,gas | 770.26 | J/mol×K | 1082.83 | Joback Calculated Property |
| Cp,gas | 777.35 | J/mol×K | 1122.07 | Joback Calculated Property |
| η | [0.0000489; 0.0004361] | Pa×s | [538.41; 886.63] |
|
| η | 0.0004361 | Pa×s | 538.41 | Joback Calculated Property |
| η | 0.0002536 | Pa×s | 596.45 | Joback Calculated Property |
| η | 0.0001624 | Pa×s | 654.48 | Joback Calculated Property |
| η | 0.0001118 | Pa×s | 712.52 | Joback Calculated Property |
| η | 0.0000814 | Pa×s | 770.56 | Joback Calculated Property |
| η | 0.0000620 | Pa×s | 828.59 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 886.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-phenylpropyl 3-chlorophenyl ester.
Sources
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