- InChI
- InChI=1S/C16H20ClNO3/c1-11(15(19)12-6-3-2-4-7-12)21-16(20)18-14-9-5-8-13(17)10-14/h5,8-12H,2-4,6-7H2,1H3,(H,18,20)
- InChI Key
- IFWQOOWEAXAQLP-UHFFFAOYSA-N
- Formula
- C16H20ClNO3
- SMILES
-
CC(OC(=O)Nc1cccc(Cl)c1)C(=O)C1
CCCCC1 - Molecular Weight1
- 309.79
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7018 | Relay (1.0) Calculated Property | |
| ΔfG° | -76.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.426 | Crippen Calculated Property | |
| McVol | 232.910 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Tboil | 633.11 | K | Relay (1.0) Calculated Property |
| Tc | 915.76 | K | Relay (1.0) Calculated Property |
| Tfus | 384.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.804 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [696.70; 766.50] | J/mol×K | [834.01; 1071.24] | 
|
| Cp,gas | 696.70 | J/mol×K | 834.01 | Joback Calculated Property |
| Cp,gas | 711.77 | J/mol×K | 873.55 | Joback Calculated Property |
| Cp,gas | 725.39 | J/mol×K | 913.09 | Joback Calculated Property |
| Cp,gas | 737.63 | J/mol×K | 952.62 | Joback Calculated Property |
| Cp,gas | 748.52 | J/mol×K | 992.16 | Joback Calculated Property |
| Cp,gas | 758.13 | J/mol×K | 1031.70 | Joback Calculated Property |
| Cp,gas | 766.50 | J/mol×K | 1071.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanone, 1-cyclohexyl-2-hydroxy-, m-carbanilate.
Sources
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