- InChI
- InChI=1S/C8H17N/c1-3-5-6-8-9-7-4-2/h4,9H,2-3,5-8H2,1H3
- InChI Key
- QRXLGCDDQNMYOQ-UHFFFAOYSA-N
- Formula
- C8H17N
- SMILES
- C=CCNCCCCC
- Molecular Weight1
- 127.23
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4269 | Relay (1.0) Calculated Property | |
| ΔfG° | 193.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -36.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.952 | Crippen Calculated Property | |
| McVol | 129.260 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Inp | 937.00 | NIST | |
| Tboil | 427.72 | K | Relay (1.0) Calculated Property |
| Tc | 597.14 | K | Relay (1.0) Calculated Property |
| Tfus | 204.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.57; 440.44] | 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 | -8.58500e+00 | |||
| Coefficient B | 8.20020e-01 | |||
| Coefficient C | -4.82900e-04 | |||
| Coefficient D | 1.11900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 226.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 265.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 301.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 332.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 359.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 384.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 405.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 424.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 440.43 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to allyl-n-amyl-amine.
Sources
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