- InChI
- InChI=1S/C10H12ClNO2/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,12,13)
- InChI Key
- DGAWNIKUBVWNHS-UHFFFAOYSA-N
- Formula
- C10H12ClNO2
- SMILES
- COc1ccc(NC(=O)C(C)Cl)cc1
- Molecular Weight1
- 213.66
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5977 | Relay (1.0) Calculated Property | |
| ΔfG° | -22.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.261 | Crippen Calculated Property | |
| McVol | 157.660 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Inp | 1698.00 | NIST | |
| Tboil | 577.62 | K | Relay (1.0) Calculated Property |
| Tc | 815.89 | K | Relay (1.0) Calculated Property |
| Tfus | 393.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.44; 437.76] | J/mol×K | [623.31; 845.22] | 
|
| Cp,gas | 373.44 | J/mol×K | 623.31 | Joback Calculated Property |
| Cp,gas | 386.15 | J/mol×K | 660.30 | Joback Calculated Property |
| Cp,gas | 398.05 | J/mol×K | 697.28 | Joback Calculated Property |
| Cp,gas | 409.13 | J/mol×K | 734.27 | Joback Calculated Property |
| Cp,gas | 419.44 | J/mol×K | 771.25 | Joback Calculated Property |
| Cp,gas | 428.97 | J/mol×K | 808.24 | Joback Calculated Property |
| Cp,gas | 437.76 | J/mol×K | 845.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(4-methoxyphenyl)-2-chloro-.
Sources
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