- InChI
- InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3
- InChI Key
- LAWOZCWGWDVVSG-UHFFFAOYSA-N
- Formula
- C16H35N
- SMILES
- CCCCCCCCNCCCCCCCC
- Molecular Weight1
- 241.46
- CAS
- 1120-48-5
- Other Names
-
- N-n-Octyl-n-octylamine
- Rc 5632
- di-Normal-octylamine
- di-n-octylamine
- dioctylamine
- ω : Acentric Factor.
- 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).
- 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 | 0.8189 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔcH°liquid | -10890.90 ± 1.60 | kJ/mol | NIST |
| ΔfG° | 173.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.20 ± 2.30 | kJ/mol | NIST |
| ΔfH°liquid | -407.30 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 42.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [87.10; 87.10] | kJ/mol |
|
| ΔvapH° | 87.10 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 87.10 | kJ/mol | NIST |
| ΔvapH° | 87.10 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 87.10 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 87.10 | kJ/mol | NIST |
| ΔvapH° | 87.10 ± 1.30 | kJ/mol | NIST |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.297 | Crippen Calculated Property | |
| McVol | 246.280 | ml/mol | McGowan Calculated Property |
| Pc | [1260.00; 1260.00] | kPa |
|
| Pc | 1260.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 1260.00 ± 300.00 | kPa | NIST |
| Pc | 1260.00 ± 300.00 | kPa | NIST |
| ρc | [220.93; 220.93] | kg/m3 |
|
| ρc | 220.93 ± 20.04 | kg/m3 | NIST |
| ρc | 220.93 ± 20.04 | kg/m3 | NIST |
| Tboil | [570.65; 570.70] | K |
|
| Tboil | 570.70 | K | NIST |
| Tboil | 570.65 ± 7.00 | K | NIST |
| Tc | [734.00; 734.00] | K |
|
| Tc | 734.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 734.00 ± 3.00 | K | NIST |
| Tc | 734.00 ± 3.00 | K | NIST |
| Tfus | [283.45; 309.65] | K |
|
| Tfus | 287.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 287.65 ± 2.00 | K | NIST |
| Tfus | 296.65 ± 1.40 | K | NIST |
| Tfus | 283.45 ± 2.00 | K | NIST |
| Tfus | 287.77 ± 0.30 | K | NIST |
| Tfus | 287.75 ± 0.50 | K | NIST |
| Tfus | 307.15 ± 5.00 | K | NIST |
| Tfus | 308.15 ± 5.00 | K | NIST |
| Tfus | 309.15 ± 5.00 | K | NIST |
| Tfus | 309.65 ± 5.00 | K | NIST |
| Vc | 1.087 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 507.20 | J/mol×K | 298.15 | NIST |
| ΔvapH | 92.60 | kJ/mol | 298.15 | The vaporization enthalpy and vapor pressure of S (+)-methamphetamine at T = 298.15 K by correlation gas chromatography |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.09; 881.67] | 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 | -1.28660e+01 | |||
| Coefficient B | 1.60004e+00 | |||
| Coefficient C | -8.95200e-04 | |||
| Coefficient D | 1.89700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 361.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 449.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 528.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 599.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 663.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 718.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 768.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 811.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 848.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 881.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [446.65; 599.37] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.66287e+01 | |||
| Coefficient B | -5.62189e+03 | |||
| Coefficient C | -1.02615e+02 | |||
| Temperature range, min. | 446.65 | |||
| Temperature range, max. | 599.37 | |||
| Pvap | 1.33 | kPa | 446.65 | Calculated Property |
| Pvap | 2.87 | kPa | 463.62 | Calculated Property |
| Pvap | 5.78 | kPa | 480.59 | Calculated Property |
| Pvap | 10.96 | kPa | 497.56 | Calculated Property |
| Pvap | 19.70 | kPa | 514.53 | Calculated Property |
| Pvap | 33.80 | kPa | 531.49 | Calculated Property |
| Pvap | 55.66 | kPa | 548.46 | Calculated Property |
| Pvap | 88.38 | kPa | 565.43 | Calculated Property |
| Pvap | 135.81 | kPa | 582.40 | Calculated Property |
| Pvap | 202.65 | kPa | 599.37 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octanamine, n-octyl-.
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).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- The vaporization enthalpy and vapor pressure of S (+)-methamphetamine at T = 298.15 K by correlation gas chromatography
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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