- InChI
- InChI=1S/C6H12N2/c1-3-6-5(2)4-7-8-6/h5,7H,3-4H2,1-2H3
- InChI Key
- BFPRKAOSDILNNU-UHFFFAOYSA-N
- Formula
- C6H12N2
- SMILES
- CCC1=NNCC1C
- Molecular Weight1
- 112.17
- 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 | 0.3730 | Relay (... Calculated Property | |
| ΔfG° | 261.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 71.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.05 | kJ/mol | Relay (... Calculated Property |
| IE | 8.21 | eV | Relay (... Calculated Property |
| log10WS | -0.09 | Relay (... Calculated Property | |
| logPoct/wat | 0.992 | Crippen Calculated Property | |
| McVol | 100.200 | ml/mol | McGowan Calculated Property |
| Pc | 4072.51 | kPa | Joback Calculated Property |
| Inp | [1000.00; 1000.00] |
|
|
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Tboil | 434.92 | K | Relay (... Calculated Property |
| Tc | 655.32 | K | Relay (... Calculated Property |
| Tfus | 267.27 | K | Relay (... Calculated Property |
| Vc | 0.357 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.04; 293.83] | J/mol×K | [458.35; 679.67] |
|
| Cp,gas | 216.04 | J/mol×K | 458.35 | Joback Calculated Property |
| Cp,gas | 230.63 | J/mol×K | 495.24 | Joback Calculated Property |
| Cp,gas | 244.58 | J/mol×K | 532.12 | Joback Calculated Property |
| Cp,gas | 257.87 | J/mol×K | 569.01 | Joback Calculated Property |
| Cp,gas | 270.52 | J/mol×K | 605.89 | Joback Calculated Property |
| Cp,gas | 282.50 | J/mol×K | 642.78 | Joback Calculated Property |
| Cp,gas | 293.83 | J/mol×K | 679.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pyrazoline, 3-ethyl-4-methyl.
Sources
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