- InChI
- InChI=1S/C15H18ClNO3/c1-3-4-11(2)20-15(19)10-9-14(18)17-13-7-5-12(16)6-8-13/h5-11H,3-4H2,1-2H3,(H,17,18)/b10-9+
- InChI Key
- NAMGGIHOZXIRHQ-MDZDMXLPSA-N
- Formula
- C15H18ClNO3
- SMILES
-
CCCC(C)OC(=O)C=CC(=O)Nc1ccc(Cl
)cc1 - Molecular Weight1
- 295.76
- 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° | -29.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.22 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 3.566 | Crippen Calculated Property | |
| McVol | 225.380 | ml/mol | McGowan Calculated Property |
| Pc | 2071.76 | kPa | Joback Calculated Property |
| Inp | [2577.00; 2577.00] |
|
|
| Inp | 2577.00 | NIST | |
| Inp | 2577.00 | NIST | |
| Tboil | 795.74 | K | Joback Calculated Property |
| Tc | 1014.50 | K | Joback Calculated Property |
| Tfus | 482.34 | K | Joback Calculated Property |
| Vc | 0.856 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.93; 686.65] | J/mol×K | [795.74; 1014.50] |
|
| Cp,gas | 621.93 | J/mol×K | 795.74 | Joback Calculated Property |
| Cp,gas | 634.96 | J/mol×K | 832.20 | Joback Calculated Property |
| Cp,gas | 647.03 | J/mol×K | 868.66 | Joback Calculated Property |
| Cp,gas | 658.19 | J/mol×K | 905.12 | Joback Calculated Property |
| Cp,gas | 668.48 | J/mol×K | 941.58 | Joback Calculated Property |
| Cp,gas | 677.95 | J/mol×K | 978.04 | Joback Calculated Property |
| Cp,gas | 686.65 | J/mol×K | 1014.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-pentyl ester.
Sources
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