- InChI
- InChI=1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
- InChI Key
- DIAIBWNEUYXDNL-UHFFFAOYSA-N
- Formula
- C18H39N
- SMILES
- CCCCCCN(CCCCCC)CCCCCC
- Molecular Weight1
- 269.52
- CAS
- 102-86-3
- Other Names
-
- N,N-dihexyl-1-hexanamine
- Tri-n-hexylamine
- trihexylamine
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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).
- ρl : Liquid Density (kg/m3).
- 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 | 0.7825 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -12223.80 ± 1.50 | kJ/mol | NIST |
| ΔfG° | 211.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -433.30 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 45.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.029 | Crippen Calculated Property | |
| McVol | 274.460 | ml/mol | McGowan Calculated Property |
| Pc | 1150.65 | kPa | Joback Calculated Property |
| Inp | [1730.00; 1741.00] |
|
|
| Inp | 1740.00 | NIST | |
| Inp | 1741.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1740.00 | NIST | |
| Tboil | [533.15; 564.15] | K |
|
| Tboil | 536.70 | K | NIST |
| Tboil | 564.15 ± 2.00 | K | NIST |
| Tboil | 537.15 ± 3.00 | K | NIST |
| Tboil | 533.15 ± 4.00 | K | NIST |
| Tc | 727.45 | K | Relay (1.0) Calculated Property |
| Tfus | 231.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.063 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | 796.22 | kg/m3 | 298.15 | Partial molar volume of tertiary amines in methanol at T = 298.15 K. Solvation, shape and specific interactions |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [402.84; 986.00] | 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 | -2.41650e+01 | |||
| Coefficient B | 1.83776e+00 | |||
| Coefficient C | -1.06800e-03 | |||
| Coefficient D | 2.40400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 402.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 502.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 592.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 672.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 742.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 805.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 859.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 907.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 949.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 986.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [411.72; 566.33] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57498e+01 | |||
| Coefficient B | -4.96712e+03 | |||
| Coefficient C | -9.04780e+01 | |||
| Temperature range, min. | 411.72 | |||
| Temperature range, max. | 566.33 | |||
| Pvap | 1.33 | kPa | 411.72 | Calculated Property |
| Pvap | 2.92 | kPa | 428.90 | Calculated Property |
| Pvap | 5.94 | kPa | 446.08 | Calculated Property |
| Pvap | 11.30 | kPa | 463.26 | Calculated Property |
| Pvap | 20.33 | kPa | 480.44 | Calculated Property |
| Pvap | 34.80 | kPa | 497.61 | Calculated Property |
| Pvap | 57.03 | kPa | 514.79 | Calculated Property |
| Pvap | 89.94 | kPa | 531.97 | Calculated Property |
| Pvap | 137.07 | kPa | 549.15 | Calculated Property |
| Pvap | 202.64 | kPa | 566.33 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexanamine, N,N-dihexyl-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Partial molar volume of tertiary amines in methanol at T = 298.15 K. Solvation, shape and specific interactions
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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