- InChI
- InChI=1S/C6H15N/c1-6(2)4-3-5-7/h6H,3-5,7H2,1-2H3
- InChI Key
- QVIAMKXOQGCYCV-UHFFFAOYSA-N
- Formula
- C6H15N
- SMILES
- CC(C)CCCN
- Molecular Weight1
- 101.19
- 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 | 0.4311 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.381 | Crippen Calculated Property | |
| McVol | 105.380 | ml/mol | McGowan Calculated Property |
| Pc | 3345.11 | kPa | Joback Calculated Property |
| Tboil | 400.14 | K | Relay (1.0) Calculated Property |
| Tc | 576.06 | K | Relay (1.0) Calculated Property |
| Tfus | 211.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.372 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.82; 365.38] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.24300e+00 | |||
| Coefficient B | 6.41640e-01 | |||
| Coefficient C | -3.49200e-04 | |||
| Coefficient D | 7.07000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 152.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 188.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 220.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 249.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 275.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 298.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 318.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 336.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 351.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 365.38 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Isohexylamine.
Sources
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