- InChI
- InChI=1S/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H2
- InChI Key
- MCGBIXXDQFWVDW-UHFFFAOYSA-N
- Formula
- C3H6N2
- SMILES
- C1=NNCC1
- Molecular Weight1
- 70.09
- CAS
- 109-98-8
- Other Names
-
- 4,5-dihydro-1H-pyrazole
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3432 | Relay (... Calculated Property | |
| ΔfG° | 253.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 189.87 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.46 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | 1.19 | Relay (... Calculated Property | |
| logPoct/wat | -0.035 | Crippen Calculated Property | |
| McVol | 57.930 | ml/mol | McGowan Calculated Property |
| Pc | 6599.09 | kPa | Joback Calculated Property |
| Inp | [771.00; 771.00] |
|
|
| Inp | 771.00 | NIST | |
| Inp | 771.00 | NIST | |
| Tboil | 405.80 | K | Relay (... Calculated Property |
| Tc | 675.51 | K | Relay (... Calculated Property |
| Tfus | 289.39 | K | Relay (... Calculated Property |
| Vc | 0.216 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [99.25; 153.80] | J/mol×K | [389.40; 618.60] |
|
| Cp,gas | 99.25 | J/mol×K | 389.40 | Joback Calculated Property |
| Cp,gas | 109.58 | J/mol×K | 427.60 | Joback Calculated Property |
| Cp,gas | 119.42 | J/mol×K | 465.80 | Joback Calculated Property |
| Cp,gas | 128.76 | J/mol×K | 504.00 | Joback Calculated Property |
| Cp,gas | 137.60 | J/mol×K | 542.20 | Joback Calculated Property |
| Cp,gas | 145.95 | J/mol×K | 580.40 | Joback Calculated Property |
| Cp,gas | 153.80 | J/mol×K | 618.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pyrazoline.
Sources
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