- InChI
- InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3
- InChI Key
- SDAXRHHPNYTELL-UHFFFAOYSA-N
- Formula
- C7H13N
- SMILES
- CCCCCCC#N
- Molecular Weight1
- 111.18
- 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 | 0.5024 | Relay (1.0) Calculated Property | |
| ΔfG° | 141.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -24.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.480 | Crippen Calculated Property | |
| McVol | 110.870 | ml/mol | McGowan Calculated Property |
| Pc | 2726.86 | kPa | Joback Calculated Property |
| Tboil | 458.60 | K | Relay (1.0) Calculated Property |
| Tc | 643.33 | K | Relay (1.0) Calculated Property |
| Tfus | 216.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.18; 285.87] | J/mol×K | [461.64; 648.70] | 
|
| Cp,gas | 229.18 | J/mol×K | 461.64 | Joback Calculated Property |
| Cp,gas | 239.70 | J/mol×K | 492.82 | Joback Calculated Property |
| Cp,gas | 249.78 | J/mol×K | 523.99 | Joback Calculated Property |
| Cp,gas | 259.42 | J/mol×K | 555.17 | Joback Calculated Property |
| Cp,gas | 268.64 | J/mol×K | 586.35 | Joback Calculated Property |
| Cp,gas | 277.45 | J/mol×K | 617.53 | Joback Calculated Property |
| Cp,gas | 285.87 | J/mol×K | 648.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptane nitrile.
Sources
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