- InChI
- InChI=1S/C4H6N2O/c1-6(2)4(7)3-5/h1-2H3
- InChI Key
- DNRRZLQWEDPRRM-UHFFFAOYSA-N
- Formula
- C4H6N2O
- SMILES
- CN(C)C(=O)C#N
- Molecular Weight1
- 98.10
- CAS
- 16703-51-8
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 829.00 | kJ/mol | NIST |
| BasG | 797.10 | kJ/mol | NIST |
| ΔfG° | 97.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.77 | kJ/mol | Joback Calculated Property |
| log10WS | 0.29 | Crippen Calculated Property | |
| logPoct/wat | -0.402 | Crippen Calculated Property | |
| McVol | 80.150 | ml/mol | McGowan Calculated Property |
| Pc | 4077.71 | kPa | Joback Calculated Property |
| Tboil | 459.31 | K | Joback Calculated Property |
| Tc | 661.40 | K | Joback Calculated Property |
| Tfus | 282.23 | K | Joback Calculated Property |
| Vc | 0.309 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.83; 191.72] | J/mol×K | [459.31; 661.40] | 
|
| Cp,gas | 154.83 | J/mol×K | 459.31 | Joback Calculated Property |
| Cp,gas | 161.90 | J/mol×K | 492.99 | Joback Calculated Property |
| Cp,gas | 168.58 | J/mol×K | 526.67 | Joback Calculated Property |
| Cp,gas | 174.89 | J/mol×K | 560.36 | Joback Calculated Property |
| Cp,gas | 180.84 | J/mol×K | 594.04 | Joback Calculated Property |
| Cp,gas | 186.45 | J/mol×K | 627.72 | Joback Calculated Property |
| Cp,gas | 191.72 | J/mol×K | 661.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (CH3)2NCOCN.
Sources
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