- InChI
- InChI=1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3
- InChI Key
- LTHNHFOGQMKPOV-UHFFFAOYSA-N
- Formula
- C8H19N
- SMILES
- CCCCC(CC)CN
- Molecular Weight1
- 129.24
- CAS
- 104-75-6
- Other Names
-
- 1-Amino-2-ethylhexan
- 1-Amino-2-ethylhexane
- 2-Ethyl-1-aminohexane
- 2-Ethyl-1-hexanamine
- 2-Ethyl-1-hexylamine
- 2-Ethylhexanamine
- 2-Ethylhexylamine
- Armeen L8D
- Hexylamine, 2-ethyl-
- UN 2276
- «beta»-Ethylhexylamine
- 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).
- 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 | 0.4777 | Relay (1.0) Calculated Property | |
| ΔfG° | 80.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.22 | kJ/mol | NIST |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Aq. Solubility Prediction | |
| logPoct/wat | 2.162 | Crippen Calculated Property | |
| McVol | 133.560 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Tboil | 442.20 | K | NIST |
| Tc | 619.44 | K | Relay (1.0) Calculated Property |
| Tfus | 197.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.468 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 44.80 | kJ/mol | 394.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.25; 468.57] | 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 | 4.25000e-01 | |||
| Coefficient B | 8.31640e-01 | |||
| Coefficient C | -4.58000e-04 | |||
| Coefficient D | 9.45000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 195.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 241.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 283.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 320.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 353.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 382.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 408.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 431.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 451.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 468.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [335.88; 467.46] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56878e+01 | |||
| Coefficient B | -4.18511e+03 | |||
| Coefficient C | -6.41230e+01 | |||
| Temperature range, min. | 335.88 | |||
| Temperature range, max. | 467.46 | |||
| Pvap | 1.33 | kPa | 335.88 | Calculated Property |
| Pvap | 2.93 | kPa | 350.50 | Calculated Property |
| Pvap | 5.95 | kPa | 365.12 | Calculated Property |
| Pvap | 11.33 | kPa | 379.74 | Calculated Property |
| Pvap | 20.38 | kPa | 394.36 | Calculated Property |
| Pvap | 34.88 | kPa | 408.98 | Calculated Property |
| Pvap | 57.14 | kPa | 423.60 | Calculated Property |
| Pvap | 90.07 | kPa | 438.22 | Calculated Property |
| Pvap | 137.19 | kPa | 452.84 | Calculated Property |
| Pvap | 202.67 | kPa | 467.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexanamine, 2-ethyl-.
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).
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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