- InChI
- InChI=1S/C10H16N2/c1-8(2)9(3,4)10(5,6-11)7-12/h8H,1-5H3
- InChI Key
- ZMCKYPPOTHYZAA-UHFFFAOYSA-N
- Formula
- C10H16N2
- SMILES
- CC(C)C(C)(C)C(C)(C#N)C#N
- Molecular Weight1
- 164.25
- CAS
- 85688-96-6
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -6239.01 ± 0.63 | kJ/mol | NIST |
| ΔfG° | 302.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 79.33 ± 0.96 | kJ/mol | NIST |
| ΔfH°solid | 17.30 ± 0.63 | kJ/mol | NIST |
| ΔfusH° | 6.32 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [62.00; 62.05] | kJ/mol |
|
| ΔsubH° | 62.05 ± 0.71 | kJ/mol | NIST |
| ΔsubH° | 62.00 | kJ/mol | NIST |
| ΔsubH° | 62.00 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 55.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 2.722 | Crippen Calculated Property | |
| McVol | 154.520 | ml/mol | McGowan Calculated Property |
| Pc | 2100.34 | kPa | Joback Calculated Property |
| Tboil | 625.46 | K | Joback Calculated Property |
| Tc | 848.98 | K | Joback Calculated Property |
| Tfus | 322.28 | K | Joback Calculated Property |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.73; 460.64] | J/mol×K | [625.46; 848.98] |
|
| Cp,gas | 396.73 | J/mol×K | 625.46 | Joback Calculated Property |
| Cp,gas | 409.43 | J/mol×K | 662.71 | Joback Calculated Property |
| Cp,gas | 421.22 | J/mol×K | 699.97 | Joback Calculated Property |
| Cp,gas | 432.15 | J/mol×K | 737.22 | Joback Calculated Property |
| Cp,gas | 442.32 | J/mol×K | 774.47 | Joback Calculated Property |
| Cp,gas | 451.79 | J/mol×K | 811.73 | Joback Calculated Property |
| Cp,gas | 460.64 | J/mol×K | 848.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl(1,1,2-trimethylpropyl)malononitrile.
Sources
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