- InChI
- InChI=1S/C3H6N2/c1-3(2)4-5-3/h1-2H3
- InChI Key
- JYSCQQRNTHDPBR-UHFFFAOYSA-N
- Formula
- C3H6N2
- SMILES
- CC1(C)N=N1
- Molecular Weight1
- 70.09
- CAS
- 5161-49-9
- 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 | 0.3300 | Relay (... Calculated Property | |
| ΔfG° | 293.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 161.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 6.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.44 | kJ/mol | Relay (... Calculated Property |
| IE | 9.76 | eV | NIST |
| log10WS | -0.89 | Relay (... Calculated Property | |
| logPoct/wat | 1.188 | Crippen Calculated Property | |
| McVol | 57.930 | ml/mol | McGowan Calculated Property |
| Pc | 5981.40 | kPa | Joback Calculated Property |
| Inp | [459.00; 459.00] |
|
|
| Inp | 459.00 | NIST | |
| Inp | 459.00 | NIST | |
| Tboil | 288.65 | K | Relay (... Calculated Property |
| Tc | 524.82 | K | Relay (... Calculated Property |
| Tfus | 290.97 | K | Relay (... Calculated Property |
| Vc | 0.253 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.66; 171.59] | J/mol×K | [381.58; 606.42] |
|
| Cp,gas | 115.66 | J/mol×K | 381.58 | Joback Calculated Property |
| Cp,gas | 127.09 | J/mol×K | 419.05 | Joback Calculated Property |
| Cp,gas | 137.56 | J/mol×K | 456.53 | Joback Calculated Property |
| Cp,gas | 147.14 | J/mol×K | 494.00 | Joback Calculated Property |
| Cp,gas | 155.94 | J/mol×K | 531.48 | Joback Calculated Property |
| Cp,gas | 164.06 | J/mol×K | 568.95 | Joback Calculated Property |
| Cp,gas | 171.59 | J/mol×K | 606.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Dimethyldiazirine.
Sources
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