- InChI
- InChI=1S/C14H14Cl2O4/c1-9(2)8-19-13(17)3-4-14(18)20-12-6-10(15)5-11(16)7-12/h3-7,9H,8H2,1-2H3/b4-3+
- InChI Key
- HLGHAOURNLIAIB-ONEGZZNKSA-N
- Formula
- C14H14Cl2O4
- SMILES
-
CC(C)COC(=O)C=CC(=O)Oc1cc(Cl)c
c(Cl)c1 - Molecular Weight1
- 317.17
- 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° | -253.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.14 | Crippen Calculated Property | |
| logPoct/wat | 3.654 | Crippen Calculated Property | |
| McVol | 219.420 | ml/mol | McGowan Calculated Property |
| Pc | 2098.42 | kPa | Joback Calculated Property |
| Inp | [2158.00; 2158.00] |
|
|
| Inp | 2158.00 | NIST | |
| Inp | 2158.00 | NIST | |
| Tboil | 787.52 | K | Joback Calculated Property |
| Tc | 1011.27 | K | Joback Calculated Property |
| Tfus | 483.08 | K | Joback Calculated Property |
| Vc | 0.832 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.75; 620.65] | J/mol×K | [787.52; 1011.27] |
|
| Cp,gas | 563.75 | J/mol×K | 787.52 | Joback Calculated Property |
| Cp,gas | 575.48 | J/mol×K | 824.81 | Joback Calculated Property |
| Cp,gas | 586.29 | J/mol×K | 862.10 | Joback Calculated Property |
| Cp,gas | 596.19 | J/mol×K | 899.40 | Joback Calculated Property |
| Cp,gas | 605.20 | J/mol×K | 936.69 | Joback Calculated Property |
| Cp,gas | 613.35 | J/mol×K | 973.98 | Joback Calculated Property |
| Cp,gas | 620.65 | J/mol×K | 1011.27 | Joback Calculated Property |
| η | [0.0000765; 0.0006394] | Pa×s | [483.08; 787.52] |
|
| η | 0.0006394 | Pa×s | 483.08 | Joback Calculated Property |
| η | 0.0003794 | Pa×s | 533.82 | Joback Calculated Property |
| η | 0.0002464 | Pa×s | 584.56 | Joback Calculated Property |
| η | 0.0001715 | Pa×s | 635.30 | Joback Calculated Property |
| η | 0.0001259 | Pa×s | 686.04 | Joback Calculated Property |
| η | 0.0000965 | Pa×s | 736.78 | Joback Calculated Property |
| η | 0.0000765 | Pa×s | 787.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,5-dichlorophenyl isobutyl ester.
Sources
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