- InChI
- InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3
- InChI Key
- QGLWBTPVKHMVHM-UHFFFAOYSA-N
- Formula
- C18H37N
- SMILES
- CCCCCCCCC=CCCCCCCCCN
- Molecular Weight1
- 267.50
- CAS
- 112-90-3
- 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 | 0.8196 | Relay (1.0) Calculated Property | |
| ΔfG° | 247.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.983 | Crippen Calculated Property | |
| McVol | 270.160 | ml/mol | McGowan Calculated Property |
| Pc | 1242.46 | kPa | Joback Calculated Property |
| Tboil | 603.56 | K | Relay (1.0) Calculated Property |
| Tc | 769.38 | K | Relay (1.0) Calculated Property |
| Tfus | 298.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.031 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.70; 953.36] | 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 | -2.11650e+01 | |||
| Coefficient B | 1.79572e+00 | |||
| Coefficient C | -1.08260e-03 | |||
| Coefficient D | 2.61400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 393.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 490.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 576.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 652.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 719.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 779.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 831.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 877.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 917.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 953.36 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to octadec-9-en-1-amine.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
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