- InChI
- InChI=1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3
- InChI Key
- XJINZNWPEQMMBV-UHFFFAOYSA-N
- Formula
- C7H17N
- SMILES
- CCCCCCNC
- Molecular Weight1
- 115.22
- CAS
- 35161-70-7
- Other Names
-
- 1-hexanamine, N-methyl-
- Hexanamine, N-methyl-
- N-methylhexylamine
- N-n-Hexylmethylamine
- hexylamine, N-methyl-
- hexylmethylamine
- methylhexylamine
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.4532 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.786 | Crippen Calculated Property | |
| McVol | 119.470 | ml/mol | McGowan Calculated Property |
| Pc | 2838.39 | kPa | Joback Calculated Property |
| Inp | [871.00; 884.00] |
|
|
| Inp | 871.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 871.00 | NIST | |
| Tboil | 414.20 | K | NIST |
| Tc | 592.00 | K | Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons |
| Tfus | 234.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.463 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.16; 417.36] | 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 | -4.68500e+00 | |||
| Coefficient B | 7.45040e-01 | |||
| Coefficient C | -4.05600e-04 | |||
| Coefficient D | 8.26000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 170.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 211.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 249.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 282.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 312.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 339.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 362.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 383.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 401.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 417.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [314.12; 437.92] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57636e+01 | |||
| Coefficient B | -3.98597e+03 | |||
| Coefficient C | -5.65620e+01 | |||
| Temperature range, min. | 314.12 | |||
| Temperature range, max. | 437.92 | |||
| Pvap | 1.33 | kPa | 314.12 | Calculated Property |
| Pvap | 2.92 | kPa | 327.88 | Calculated Property |
| Pvap | 5.94 | kPa | 341.63 | Calculated Property |
| Pvap | 11.30 | kPa | 355.39 | Calculated Property |
| Pvap | 20.32 | kPa | 369.14 | Calculated Property |
| Pvap | 34.79 | kPa | 382.90 | Calculated Property |
| Pvap | 57.01 | kPa | 396.65 | Calculated Property |
| Pvap | 89.92 | kPa | 410.41 | Calculated Property |
| Pvap | 137.06 | kPa | 424.16 | Calculated Property |
| Pvap | 202.66 | kPa | 437.92 | Calculated Property |
Similar Compounds
Find more compounds similar to n-Hexylmethylamine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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