- InChI
- InChI=1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3
- InChI Key
- PXSXRABJBXYMFT-UHFFFAOYSA-N
- Formula
- C12H27N
- SMILES
- CCCCCCNCCCCCC
- Molecular Weight1
- 185.35
- CAS
- 143-16-8
- Other Names
-
- Bis(1-hexyl)amine
- Di-N-hexylamine
- Dihexylamine
- N,N-Dihexylamine
- N-Hexylhexanamine
- N-hexyl-1-hexanamine
- di-Normal-hexylamine
- 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).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6371 | Relay (1.0) Calculated Property | |
| ΔfG° | 139.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.737 | Crippen Calculated Property | |
| McVol | 189.920 | ml/mol | McGowan Calculated Property |
| Pc | 1800.03 | kPa | Joback Calculated Property |
| Inp | 1345.00 | NIST | |
| I | [1500.00; 1505.00] |
|
|
| I | 1505.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1500.00 | NIST | |
| Tboil | [466.65; 466.70] | K |
|
| Tboil | 466.70 | K | NIST |
| Tboil | 466.65 ± 10.00 | K | NIST |
| Tc | 669.90 | K | Relay (1.0) Calculated Property |
| Tfus | [258.50; 286.21] | K |
|
| Tfus | 273.65 ± 1.00 | K | NIST |
| Tfus | 286.21 ± 0.30 | K | NIST |
| Tfus | 258.50 ± 0.60 | K | NIST |
| Tfus | 260.09 ± 0.15 | K | NIST |
| Vc | 0.741 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.54; 555.97] | J/mol×K | [524.13; 688.55] |
|
| Cp,gas | 464.54 | J/mol×K | 524.13 | Joback Calculated Property |
| Cp,gas | 481.38 | J/mol×K | 551.53 | Joback Calculated Property |
| Cp,gas | 497.56 | J/mol×K | 578.94 | Joback Calculated Property |
| Cp,gas | 513.09 | J/mol×K | 606.34 | Joback Calculated Property |
| Cp,gas | 527.99 | J/mol×K | 633.75 | Joback Calculated Property |
| Cp,gas | 542.27 | J/mol×K | 661.15 | Joback Calculated Property |
| Cp,gas | 555.97 | J/mol×K | 688.55 | Joback Calculated Property |
| ΔvapH | [55.10; 70.80] | kJ/mol | [298.15; 488.50] |
|
| ΔvapH | 70.80 | kJ/mol | 298.15 | The vaporization enthalpy and vapor pressure of S (+)-methamphetamine at T = 298.15 K by correlation gas chromatography |
| ΔvapH | 55.10 | kJ/mol | 488.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [392.36; 482.06] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.25966e+01 | |||
| Coefficient B | -6.88479e+03 | |||
| Coefficient C | -8.37500e+01 | |||
| Temperature range, min. | 392.36 | |||
| Temperature range, max. | 482.06 | |||
| Pvap | 1.33 | kPa | 392.36 | Calculated Property |
| Pvap | 2.68 | kPa | 402.33 | Calculated Property |
| Pvap | 5.16 | kPa | 412.29 | Calculated Property |
| Pvap | 9.57 | kPa | 422.26 | Calculated Property |
| Pvap | 17.11 | kPa | 432.23 | Calculated Property |
| Pvap | 29.64 | kPa | 442.19 | Calculated Property |
| Pvap | 49.84 | kPa | 452.16 | Calculated Property |
| Pvap | 81.54 | kPa | 462.13 | Calculated Property |
| Pvap | 130.06 | kPa | 472.09 | Calculated Property |
| Pvap | 202.68 | kPa | 482.06 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexanamine, N-hexyl-.
Sources
- 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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