- InChI
- InChI=1S/C3H6ClNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)
- InChI Key
- JQDXZJYAUSVHDH-UHFFFAOYSA-N
- Formula
- C3H6ClNO
- SMILES
- NC(=O)CCCl
- Molecular Weight1
- 107.54
- CAS
- 5875-24-1
- Other Names
-
- Propanamide, 3-chloro-
- 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 | 0.5232 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | 7.51e-03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.101 | Crippen Calculated Property | |
| McVol | 76.920 | ml/mol | McGowan Calculated Property |
| Pc | 4938.44 | kPa | Joback Calculated Property |
| Tboil | 465.80 | K | Relay (1.0) Calculated Property |
| Tc | 681.40 | K | Relay (1.0) Calculated Property |
| Tfus | 313.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.270 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.65; 171.03] | J/mol×K | [431.87; 636.51] | 
|
| Cp,gas | 137.65 | J/mol×K | 431.87 | Joback Calculated Property |
| Cp,gas | 143.97 | J/mol×K | 465.98 | Joback Calculated Property |
| Cp,gas | 149.97 | J/mol×K | 500.08 | Joback Calculated Property |
| Cp,gas | 155.67 | J/mol×K | 534.19 | Joback Calculated Property |
| Cp,gas | 161.08 | J/mol×K | 568.30 | Joback Calculated Property |
| Cp,gas | 166.19 | J/mol×K | 602.40 | Joback Calculated Property |
| Cp,gas | 171.03 | J/mol×K | 636.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionamide.
Sources
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