- InChI
- InChI=1S/C4H8ClNO/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H2,6,7)
- InChI Key
- VJIOSCMTZVXQQU-UHFFFAOYSA-N
- Formula
- C4H8ClNO
- SMILES
- CCC(Cl)C(N)=O
- Molecular Weight1
- 121.56
- CAS
- 7462-73-9
- 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 | 0.4760 | Relay (1.0) Calculated Property | |
| ΔfG° | -94.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.489 | Crippen Calculated Property | |
| McVol | 91.010 | ml/mol | McGowan Calculated Property |
| Pc | 4379.97 | kPa | Joback Calculated Property |
| Tboil | 444.80 | K | Relay (1.0) Calculated Property |
| Tc | 656.97 | K | Relay (1.0) Calculated Property |
| Tfus | 289.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.331 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.28; 216.63] | J/mol×K | [454.31; 661.30] | 
|
| Cp,gas | 174.28 | J/mol×K | 454.31 | Joback Calculated Property |
| Cp,gas | 182.33 | J/mol×K | 488.81 | Joback Calculated Property |
| Cp,gas | 189.97 | J/mol×K | 523.31 | Joback Calculated Property |
| Cp,gas | 197.21 | J/mol×K | 557.81 | Joback Calculated Property |
| Cp,gas | 204.05 | J/mol×K | 592.31 | Joback Calculated Property |
| Cp,gas | 210.52 | J/mol×K | 626.81 | Joback Calculated Property |
| Cp,gas | 216.63 | J/mol×K | 661.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobutyramide.
Sources
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