- InChI
- InChI=1S/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2-
- InChI Key
- NQQRXZOPZBKCNF-IHWYPQMZSA-N
- Formula
- C4H7NO
- SMILES
- CC=CC(N)=O
- Molecular Weight1
- 85.10
- CAS
- 31110-30-2
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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° | 0.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -87.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.84 | kJ/mol | Joback Calculated Property |
| log10WS | -0.56 | Crippen Calculated Property | |
| logPoct/wat | 0.048 | Crippen Calculated Property | |
| McVol | 74.470 | ml/mol | McGowan Calculated Property |
| Pc | 4890.21 | kPa | Joback Calculated Property |
| Tboil | 421.48 | K | Joback Calculated Property |
| Tc | 627.04 | K | Joback Calculated Property |
| Tfus | 262.95 | K | Joback Calculated Property |
| Vc | 0.275 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.13; 175.67] | J/mol×K | [421.48; 627.04] | 
|
| Cp,gas | 136.13 | J/mol×K | 421.48 | Joback Calculated Property |
| Cp,gas | 143.74 | J/mol×K | 455.74 | Joback Calculated Property |
| Cp,gas | 150.91 | J/mol×K | 490.00 | Joback Calculated Property |
| Cp,gas | 157.67 | J/mol×K | 524.26 | Joback Calculated Property |
| Cp,gas | 164.04 | J/mol×K | 558.52 | Joback Calculated Property |
| Cp,gas | 170.03 | J/mol×K | 592.78 | Joback Calculated Property |
| Cp,gas | 175.67 | J/mol×K | 627.04 | Joback Calculated Property |
| ΔsubH | 68.00 | kJ/mol | 370.00 | NIST |
Similar Compounds
Find more compounds similar to cis 2-Butenoic acid amide.
Sources
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