- InChI
- InChI=1S/C7H12N2/c1-5-7(3,4)6(2)9-8-5/h1-4H3
- InChI Key
- AIHABYFCZQBWLH-UHFFFAOYSA-N
- Formula
- C7H12N2
- SMILES
- CC1=NN=C(C)C1(C)C
- Molecular Weight1
- 124.18
- CAS
- 19078-32-1
- Other Names
-
- 4H-Pyrazole,3,4,4,5-tetramethyl-
- 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).
- 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 | 0.3427 | Relay (... Calculated Property | |
| ΔfG° | 313.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 151.86 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.91 | kJ/mol | Relay (... Calculated Property |
| IE | [9.57; 10.12] | eV |
|
| IE | 9.57 | eV | NIST |
| IE | 10.12 | eV | NIST |
| log10WS | -1.58 | Relay (... Calculated Property | |
| logPoct/wat | 1.863 | Crippen Calculated Property | |
| McVol | 109.990 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Tboil | 416.22 | K | Relay (... Calculated Property |
| Tc | 626.14 | K | Relay (... Calculated Property |
| Tfus | 329.73 | K | Relay (... Calculated Property |
| Vc | 0.397 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.51; 339.91] | J/mol×K | [490.76; 726.83] |
|
| Cp,gas | 258.51 | J/mol×K | 490.76 | Joback Calculated Property |
| Cp,gas | 274.22 | J/mol×K | 530.11 | Joback Calculated Property |
| Cp,gas | 288.95 | J/mol×K | 569.45 | Joback Calculated Property |
| Cp,gas | 302.80 | J/mol×K | 608.80 | Joback Calculated Property |
| Cp,gas | 315.84 | J/mol×K | 648.14 | Joback Calculated Property |
| Cp,gas | 328.18 | J/mol×K | 687.49 | Joback Calculated Property |
| Cp,gas | 339.91 | J/mol×K | 726.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazole, 3,4,4,5-tetramethyl-.
Sources
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