- InChI
- InChI=1S/C18H24ClNO3/c1-3-5-6-14(4-2)13-23-18(22)12-11-17(21)20-16-9-7-15(19)8-10-16/h7-12,14H,3-6,13H2,1-2H3,(H,20,21)/b12-11+
- InChI Key
- MYIGZTONFLPUEF-VAWYXSNFSA-N
- Formula
- C18H24ClNO3
- SMILES
-
CCCCC(CC)COC(=O)C=CC(=O)Nc1ccc
(Cl)cc1 - Molecular Weight1
- 337.84
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -4.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.89 | kJ/mol | Joback Calculated Property |
| log10WS | -5.02 | Crippen Calculated Property | |
| logPoct/wat | 4.594 | Crippen Calculated Property | |
| McVol | 267.650 | ml/mol | McGowan Calculated Property |
| Pc | 1619.37 | kPa | Joback Calculated Property |
| Inp | [2896.00; 2896.00] |
|
|
| Inp | 2896.00 | NIST | |
| Inp | 2896.00 | NIST | |
| Tboil | 864.38 | K | Joback Calculated Property |
| Tc | 1078.35 | K | Joback Calculated Property |
| Tfus | 516.15 | K | Joback Calculated Property |
| Vc | 1.024 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [790.41; 859.76] | J/mol×K | [864.38; 1078.35] |
|
| Cp,gas | 790.41 | J/mol×K | 864.38 | Joback Calculated Property |
| Cp,gas | 804.30 | J/mol×K | 900.04 | Joback Calculated Property |
| Cp,gas | 817.18 | J/mol×K | 935.70 | Joback Calculated Property |
| Cp,gas | 829.12 | J/mol×K | 971.36 | Joback Calculated Property |
| Cp,gas | 840.16 | J/mol×K | 1007.02 | Joback Calculated Property |
| Cp,gas | 850.36 | J/mol×K | 1042.69 | Joback Calculated Property |
| Cp,gas | 859.76 | J/mol×K | 1078.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-ethylhexyl ester.
Sources
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