- InChI
- InChI=1S/C3H6N2/c1-2-4-5-3-1/h1-3H2
- InChI Key
- DNXIASIHZYFFRO-UHFFFAOYSA-N
- Formula
- C3H6N2
- SMILES
- C1CN=NC1
- Molecular Weight1
- 70.09
- CAS
- 2721-43-9
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 282.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 175.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.55 | kJ/mol | Joback Calculated Property |
| log10WS | -0.23 | Crippen Calculated Property | |
| logPoct/wat | 0.842 | Crippen Calculated Property | |
| McVol | 57.930 | ml/mol | McGowan Calculated Property |
| Pc | 6349.11 | kPa | Joback Calculated Property |
| Inp | [697.00; 697.00] |
|
|
| Inp | 697.00 | NIST | |
| Inp | 697.00 | NIST | |
| Tboil | 394.55 | K | Joback Calculated Property |
| Tc | 629.12 | K | Joback Calculated Property |
| Tfus | 282.55 | K | Joback Calculated Property |
| Vc | 0.230 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [109.72; 174.17] | J/mol×K | [394.55; 629.12] |
|
| Cp,gas | 109.72 | J/mol×K | 394.55 | Joback Calculated Property |
| Cp,gas | 121.96 | J/mol×K | 433.64 | Joback Calculated Property |
| Cp,gas | 133.62 | J/mol×K | 472.74 | Joback Calculated Property |
| Cp,gas | 144.67 | J/mol×K | 511.83 | Joback Calculated Property |
| Cp,gas | 155.12 | J/mol×K | 550.93 | Joback Calculated Property |
| Cp,gas | 164.96 | J/mol×K | 590.02 | Joback Calculated Property |
| Cp,gas | 174.17 | J/mol×K | 629.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pyrazoline.
Sources
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