- InChI
- InChI=1S/C7H13NO/c8-6-4-2-1-3-5-7-9/h9H,1-5,7H2
- InChI Key
- XAZAHJGDOHGFBV-UHFFFAOYSA-N
- Formula
- C7H13NO
- SMILES
- N#CCCCCCCO
- Molecular Weight1
- 127.18
- CAS
- 17976-80-6
- Other Names
-
- 7-hydroxyheptane-1-nitrile
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7304 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -184.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.453 | Crippen Calculated Property | |
| McVol | 116.740 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Tboil | 549.39 | K | Relay (1.0) Calculated Property |
| Tc | 769.56 | K | Relay (1.0) Calculated Property |
| Tfus | 289.03 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.52; 324.29] | J/mol×K | [554.02; 732.26] | 
|
| Cp,gas | 275.52 | J/mol×K | 554.02 | Joback Calculated Property |
| Cp,gas | 284.60 | J/mol×K | 583.73 | Joback Calculated Property |
| Cp,gas | 293.28 | J/mol×K | 613.43 | Joback Calculated Property |
| Cp,gas | 301.58 | J/mol×K | 643.14 | Joback Calculated Property |
| Cp,gas | 309.50 | J/mol×K | 672.85 | Joback Calculated Property |
| Cp,gas | 317.07 | J/mol×K | 702.56 | Joback Calculated Property |
| Cp,gas | 324.29 | J/mol×K | 732.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanenitrile, 7-hydroxy-.
Sources
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