- InChI
- InChI=1S/C10H16N2/c1-5-9(3,4)10(6-2,7-11)8-12/h5-6H2,1-4H3
- InChI Key
- PGJYGIZMFMZNAZ-UHFFFAOYSA-N
- Formula
- C10H16N2
- SMILES
- CCC(C)(C)C(C#N)(C#N)CC
- Molecular Weight1
- 164.25
- CAS
- 85688-95-5
- ω : Acentric Factor.
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.4625 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6206.80 ± 1.70 | kJ/mol | NIST |
| ΔfG° | 305.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 61.30 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | -15.00 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 9.84 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [76.20; 76.30] | kJ/mol |
|
| ΔsubH° | 76.23 ± 0.75 | kJ/mol | NIST |
| ΔsubH° | 76.30 | kJ/mol | NIST |
| ΔsubH° | 76.20 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 60.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.866 | Crippen Calculated Property | |
| McVol | 154.520 | ml/mol | McGowan Calculated Property |
| Pc | 2085.03 | kPa | Joback Calculated Property |
| Tboil | 495.80 | K | Relay (1.0) Calculated Property |
| Tc | 695.85 | K | Relay (1.0) Calculated Property |
| Tfus | 342.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.520 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.24; 458.97] | J/mol×K | [625.90; 844.90] |
|
| Cp,gas | 396.24 | J/mol×K | 625.90 | Joback Calculated Property |
| Cp,gas | 408.64 | J/mol×K | 662.40 | Joback Calculated Property |
| Cp,gas | 420.17 | J/mol×K | 698.90 | Joback Calculated Property |
| Cp,gas | 430.90 | J/mol×K | 735.40 | Joback Calculated Property |
| Cp,gas | 440.89 | J/mol×K | 771.90 | Joback Calculated Property |
| Cp,gas | 450.23 | J/mol×K | 808.40 | Joback Calculated Property |
| Cp,gas | 458.97 | J/mol×K | 844.90 | Joback Calculated Property |
| ΔfusH | 19.25 | kJ/mol | 307.50 | NIST |
Similar Compounds
Find more compounds similar to Ethyl(1,1-dimethylpropyl)malononitrile.
Sources
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