- InChI
- InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
- InChI Key
- IOQPZZOEVPZRBK-UHFFFAOYSA-N
- Formula
- C8H19N
- SMILES
- CCCCCCCCN
- Molecular Weight1
- 129.24
- CAS
- 111-86-4
- Other Names
-
- 1-AMINOOCTANE
- 1-Octylamine
- Amine 8D
- Armeen 8
- CAPRYLAMINE
- Caprylylamine
- Monoctylamine
- Monooctylamine
- NSC 9824
- Octanamine
- Octylamine
- n-C8H17NH2
- n-Octylamine
- n-Octylamine, mono-
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Vm : Molar Volume (m3/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5448 | Relay (1.0) Calculated Property | |
| PAff | [924.70; 928.90] | kJ/mol |
|
| PAff | 928.90 | kJ/mol | NIST |
| PAff | 925.10 | kJ/mol | NIST |
| PAff | 924.70 | kJ/mol | NIST |
| BasG | [879.50; 895.00] | kJ/mol |
|
| BasG | 895.00 | kJ/mol | NIST |
| BasG | 879.50 ± 9.20 | kJ/mol | NIST |
| ΔcH°liquid | -5635.38 ± 0.96 | kJ/mol | NIST |
| ΔfG° | 82.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.50 ± 1.30 | kJ/mol | NIST |
| ΔfH°liquid | -228.10 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 21.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [54.60; 54.80] | kJ/mol |
|
| ΔvapH° | 54.63 ± 0.96 | kJ/mol | NIST |
| ΔvapH° | 54.60 | kJ/mol | NIST |
| ΔvapH° | 54.80 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 54.60 | kJ/mol | NIST |
| IE | 8.50 | eV | NIST |
| log10WS | -2.75 | Aq. Solubility Prediction | |
| logPoct/wat | 2.306 | Crippen Calculated Property | |
| McVol | 133.560 | ml/mol | McGowan Calculated Property |
| Pc | 2617.00 ± 400.00 | kPa | NIST |
| ρc | 249.44 ± 29.73 | kg/m3 | NIST |
| Inp | [993.00; 1058.00] |
|
|
| Inp | Outlier 993.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1041.00 | NIST | |
| I | [1315.00; 1320.00] |
|
|
| I | 1320.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1316.00 | NIST | |
| Tboil | [445.65; 459.15] | K |
|
| Tboil | 449.20 | K | NIST |
| Tboil | 452.80 | K | NIST |
| Tboil | 452.75 ± 1.00 | K | NIST |
| Tboil | 452.00 ± 2.00 | K | NIST |
| Tboil | 452.15 ± 1.00 | K | NIST |
| Tboil | 451.65 ± 3.00 | K | NIST |
| Tboil | 452.65 ± 3.00 | K | NIST |
| Tboil | 445.65 ± 5.00 | K | NIST |
| Tboil | Outlier 459.15 ± 6.00 | K | NIST |
| Tc | 641.00 ± 3.00 | K | NIST |
| Tfus | [272.15; 273.15] | K |
|
| Tfus | 272.90 | K | Aq. Solubility Prediction |
| Tfus | 272.75 ± 0.20 | K | NIST |
| Tfus | 273.15 ± 0.50 | K | NIST |
| Tfus | 272.15 ± 0.50 | K | NIST |
| Vc | 0.514 | m3/kmol | Relay (1.0) Calculated Property |
| Vm | 1.66e-04 | m3/mol | Thermodynamic study of (heptane + amine) mixtures. II. Excess and partial molar volumes at 298.15 K |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [344.20; 477.55] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57539e+01 | |||
| Coefficient B | -4.28704e+03 | |||
| Coefficient C | -6.70140e+01 | |||
| Temperature range, min. | 344.20 | |||
| Temperature range, max. | 477.55 | |||
| Pvap | 1.33 | kPa | 344.20 | Calculated Property |
| Pvap | 2.92 | kPa | 359.02 | Calculated Property |
| Pvap | 5.94 | kPa | 373.83 | Calculated Property |
| Pvap | 11.30 | kPa | 388.65 | Calculated Property |
| Pvap | 20.33 | kPa | 403.47 | Calculated Property |
| Pvap | 34.80 | kPa | 418.28 | Calculated Property |
| Pvap | 57.02 | kPa | 433.10 | Calculated Property |
| Pvap | 89.93 | kPa | 447.92 | Calculated Property |
| Pvap | 137.06 | kPa | 462.73 | Calculated Property |
| Pvap | 202.63 | kPa | 477.55 | Calculated Property |
| Pvap | [0.02; 2543.96] | kPa | [272.75; 627.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.09173e+02 | |||
| Coefficient B | -9.98021e+03 | |||
| Coefficient C | -1.37762e+01 | |||
| Coefficient D | 8.43830e-06 | |||
| Temperature range, min. | 272.75 | |||
| Temperature range, max. | 627.00 | |||
| Pvap | 0.02 | kPa | 272.75 | Calculated Property |
| Pvap | 0.33 | kPa | 312.11 | Calculated Property |
| Pvap | 2.89 | kPa | 351.47 | Calculated Property |
| Pvap | 14.97 | kPa | 390.83 | Calculated Property |
| Pvap | 54.24 | kPa | 430.19 | Calculated Property |
| Pvap | 153.08 | kPa | 469.56 | Calculated Property |
| Pvap | 361.73 | kPa | 508.92 | Calculated Property |
| Pvap | 752.65 | kPa | 548.28 | Calculated Property |
| Pvap | 1429.43 | kPa | 587.64 | Calculated Property |
| Pvap | 2543.96 | kPa | 627.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octanamine.
Mixtures
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Thermodynamic study of heptane + amine mixtures. V. Excess and solvation Gibbs energies
- Thermodynamic study of (heptane + amine) mixtures. II. Excess and partial molar volumes at 298.15 K
- Experimental Solid + Liquid Equilibria and Excess Molar Volume of Alkanol + Octylamine Mixtures. Analysis in Terms of ERAS, DISQUAC, and Modified UNIFAC
- Excess Molar Properties for Binary Systems of CnMIM-BF4 Ionic Liquids with Alkylamines in the Temperature Range (298.15 to 318.15) K. Experimental Results and Theoretical Model Calculations
- The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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