- InChI
- InChI=1S/C19H23Cl3O4/c1-2-3-4-5-6-7-8-13-25-16(23)11-12-17(24)26-19-15(21)10-9-14(20)18(19)22/h9-12H,2-8,13H2,1H3/b12-11+
- InChI Key
- KTDJRTVQFGUUHP-VAWYXSNFSA-N
- Formula
- C19H23Cl3O4
- SMILES
-
CCCCCCCCCOC(=O)C=CC(=O)Oc1c(Cl
)ccc(Cl)c1Cl - Molecular Weight1
- 421.74
- 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° | -230.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.57 | kJ/mol | Joback Calculated Property |
| log10WS | -7.16 | Crippen Calculated Property | |
| logPoct/wat | 6.402 | Crippen Calculated Property | |
| McVol | 302.110 | ml/mol | McGowan Calculated Property |
| Pc | 1348.67 | kPa | Joback Calculated Property |
| Inp | [2888.00; 2888.00] |
|
|
| Inp | 2888.00 | NIST | |
| Inp | 2888.00 | NIST | |
| Tboil | 944.77 | K | Joback Calculated Property |
| Tc | 1165.05 | K | Joback Calculated Property |
| Tfus | 596.87 | K | Joback Calculated Property |
| Vc | 1.167 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [863.64; 919.92] | J/mol×K | [944.77; 1165.05] |
|
| Cp,gas | 863.64 | J/mol×K | 944.77 | Joback Calculated Property |
| Cp,gas | 875.57 | J/mol×K | 981.48 | Joback Calculated Property |
| Cp,gas | 886.43 | J/mol×K | 1018.20 | Joback Calculated Property |
| Cp,gas | 896.26 | J/mol×K | 1054.91 | Joback Calculated Property |
| Cp,gas | 905.10 | J/mol×K | 1091.63 | Joback Calculated Property |
| Cp,gas | 912.97 | J/mol×K | 1128.34 | Joback Calculated Property |
| Cp,gas | 919.92 | J/mol×K | 1165.05 | Joback Calculated Property |
| η | [0.0000361; 0.0002609] | Pa×s | [596.87; 944.77] |
|
| η | 0.0002609 | Pa×s | 596.87 | Joback Calculated Property |
| η | 0.0001621 | Pa×s | 654.85 | Joback Calculated Property |
| η | 0.0001089 | Pa×s | 712.84 | Joback Calculated Property |
| η | 0.0000776 | Pa×s | 770.82 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 828.80 | Joback Calculated Property |
| η | 0.0000451 | Pa×s | 886.79 | Joback Calculated Property |
| η | 0.0000361 | Pa×s | 944.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, nonyl 2,3,6-trichlorophenyl ester.
Sources
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