- InChI
- InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/t7-/m0/s1
- InChI Key
- VSRBKQFNFZQRBM-ZETCQYMHSA-N
- Formula
- C7H17N
- SMILES
- CCCCCC(C)N
- Molecular Weight1
- 115.22
- CAS
- 6240-90-0
- 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 | 0.4536 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.914 | Crippen Calculated Property | |
| McVol | 119.470 | ml/mol | McGowan Calculated Property |
| Pc | 3002.44 | kPa | Joback Calculated Property |
| Tboil | 409.89 | K | Relay (1.0) Calculated Property |
| Tc | 591.68 | K | Relay (1.0) Calculated Property |
| Tfus | 220.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.04; 416.97] | 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 | 1.33400e+00 | |||
| Coefficient B | 7.36640e-01 | |||
| Coefficient C | -4.03600e-04 | |||
| Coefficient D | 8.26000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 174.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 215.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 252.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 285.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 314.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 340.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 363.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 383.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 401.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 416.97 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (+)-2-Aminoheptane.
Sources
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