- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 4.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -175.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.33 | kJ/mol | Joback Calculated Property |
| log10WS | -1.88 | Crippen 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 | 553.82 | K | Joback Calculated Property |
| Tc | 732.00 | K | Joback Calculated Property |
| Tfus | 294.46 | K | Joback Calculated Property |
| Vc | 0.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.46; 324.22] | J/mol×K | [553.82; 732.00] | 
|
| Cp,gas | 275.46 | J/mol×K | 553.82 | Joback Calculated Property |
| Cp,gas | 284.54 | J/mol×K | 583.52 | Joback Calculated Property |
| Cp,gas | 293.22 | J/mol×K | 613.21 | Joback Calculated Property |
| Cp,gas | 301.51 | J/mol×K | 642.91 | Joback Calculated Property |
| Cp,gas | 309.44 | J/mol×K | 672.61 | Joback Calculated Property |
| Cp,gas | 317.00 | J/mol×K | 702.30 | Joback Calculated Property |
| Cp,gas | 324.22 | J/mol×K | 732.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanenitrile, 7-hydroxy-.
Sources
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