- InChI
- InChI=1S/C15H18ClNO3/c1-15(2,3)10-20-14(19)9-8-13(18)17-12-6-4-11(16)5-7-12/h4-9H,10H2,1-3H3,(H,17,18)/b9-8+
- InChI Key
- BMLAGWCMYYTMAV-CMDGGOBGSA-N
- Formula
- C15H18ClNO3
- SMILES
-
CC(C)(C)COC(=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° | -24.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.31 | kJ/mol | Joback Calculated Property |
| log10WS | -3.76 | Crippen Calculated Property | |
| logPoct/wat | 3.424 | Crippen Calculated Property | |
| McVol | 225.380 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | 2538.00 | NIST | |
| Tboil | 792.95 | K | Joback Calculated Property |
| Tc | 1017.99 | K | Joback Calculated Property |
| Tfus | 499.76 | K | Joback Calculated Property |
| Vc | 0.851 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.28; 688.39] | J/mol×K | [792.95; 1017.99] | 
|
| Cp,gas | 623.28 | J/mol×K | 792.95 | Joback Calculated Property |
| Cp,gas | 636.35 | J/mol×K | 830.46 | Joback Calculated Property |
| Cp,gas | 648.43 | J/mol×K | 867.96 | Joback Calculated Property |
| Cp,gas | 659.60 | J/mol×K | 905.47 | Joback Calculated Property |
| Cp,gas | 669.94 | J/mol×K | 942.98 | Joback Calculated Property |
| Cp,gas | 679.51 | J/mol×K | 980.48 | Joback Calculated Property |
| Cp,gas | 688.39 | J/mol×K | 1017.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(4-chlorophenyl)-, neopentyl ester.
Sources
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