- InChI
- InChI=1S/C8H12N2/c1-2-3-4-5-8(6-9)7-10/h8H,2-5H2,1H3
- InChI Key
- HMPREYSQSBAVPJ-UHFFFAOYSA-N
- Formula
- C8H12N2
- SMILES
- CCCCCC(C#N)C#N
- Molecular Weight1
- 136.19
- CAS
- 42046-61-7
- ΔcH°liquid : Standard liquid 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°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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°liquid | -4931.76 ± 0.50 | kJ/mol | NIST |
| ΔfG° | 280.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 135.80 ± 0.63 | kJ/mol | NIST |
| ΔfH°liquid | 68.74 ± 0.50 | kJ/mol | NIST |
| ΔfusH° | 15.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [67.00; 67.10] | kJ/mol |
|
| ΔvapH° | 67.00 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 67.10 | kJ/mol | NIST |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 2.230 | Crippen Calculated Property | |
| McVol | 126.340 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Tboil | 586.16 | K | Joback Calculated Property |
| Tc | 792.14 | K | Joback Calculated Property |
| Tfus | 294.90 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [295.81; 348.36] | J/mol×K | [586.16; 792.14] |
|
| Cp,gas | 295.81 | J/mol×K | 586.16 | Joback Calculated Property |
| Cp,gas | 305.81 | J/mol×K | 620.49 | Joback Calculated Property |
| Cp,gas | 315.29 | J/mol×K | 654.82 | Joback Calculated Property |
| Cp,gas | 324.27 | J/mol×K | 689.15 | Joback Calculated Property |
| Cp,gas | 332.76 | J/mol×K | 723.48 | Joback Calculated Property |
| Cp,gas | 340.78 | J/mol×K | 757.81 | Joback Calculated Property |
| Cp,gas | 348.36 | J/mol×K | 792.14 | Joback Calculated Property |
| ΔvapH | 66.90 ± 0.40 | kJ/mol | 313.00 | NIST |
Similar Compounds
Find more compounds similar to n-Pentylmalononitrile.
Sources
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