- InChI
- InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3
- InChI Key
- VSRBKQFNFZQRBM-UHFFFAOYSA-N
- Formula
- C7H17N
- SMILES
- CCCCCC(C)N
- Molecular Weight1
- 115.22
- CAS
- 123-82-0
- Other Names
-
- (.+/-.)-2-Aminoheptane
- 1-Methylhexanamine
- 1-Methylhexylamine
- 2-Aminoheptane
- 2-Heptanamine
- 2-Heptylamine
- Armeen L-7
- DL-2-Aminoheptane
- Heptamine
- Heptamine, sympathomimetic
- Heptedrine
- Heptin
- Hexylamine, 1-methyl-
- NSC 1091
- Rineptil
- Rineptyl
- Tuamine
- Tuaminoheptan
- 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.
- 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 | 0.4536 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.914 | Crippen Calculated Property | |
| McVol | 119.470 | ml/mol | McGowan Calculated Property |
| Pc | 3002.44 | kPa | Joback Calculated Property |
| Inp | [802.00; 863.00] |
|
|
| Inp | 863.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | 807.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 863.00 | NIST | |
| I | [1079.00; 1158.00] |
|
|
| I | 1079.00 | NIST | |
| I | 1158.00 | NIST | |
| Tboil | [414.15; 415.20] | K |
|
| Tboil | 415.20 | K | NIST |
| Tboil | 414.15 ± 3.00 | K | NIST |
| Tc | 598.00 | K | Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons |
| Tfus | 221.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.75; 320.73] | J/mol×K | [431.65; 614.39] |
|
| Cp,gas | 250.75 | J/mol×K | 431.65 | Joback Calculated Property |
| Cp,gas | 263.71 | J/mol×K | 462.11 | Joback Calculated Property |
| Cp,gas | 276.13 | J/mol×K | 492.56 | Joback Calculated Property |
| Cp,gas | 288.03 | J/mol×K | 523.02 | Joback Calculated Property |
| Cp,gas | 299.42 | J/mol×K | 553.48 | Joback Calculated Property |
| Cp,gas | 310.31 | J/mol×K | 583.94 | Joback Calculated Property |
| Cp,gas | 320.73 | J/mol×K | 614.39 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [314.12; 439.24] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56533e+01 | |||
| Coefficient B | -3.95757e+03 | |||
| Coefficient C | -5.65620e+01 | |||
| Temperature range, min. | 314.12 | |||
| Temperature range, max. | 439.24 | |||
| Pvap | 1.33 | kPa | 314.12 | Calculated Property |
| Pvap | 2.93 | kPa | 328.02 | Calculated Property |
| Pvap | 5.96 | kPa | 341.92 | Calculated Property |
| Pvap | 11.35 | kPa | 355.83 | Calculated Property |
| Pvap | 20.41 | kPa | 369.73 | Calculated Property |
| Pvap | 34.93 | kPa | 383.63 | Calculated Property |
| Pvap | 57.20 | kPa | 397.53 | Calculated Property |
| Pvap | 90.13 | kPa | 411.44 | Calculated Property |
| Pvap | 137.23 | kPa | 425.34 | Calculated Property |
| Pvap | 202.66 | kPa | 439.24 | Calculated Property |
Similar Compounds
Find more compounds similar to Tuaminoheptane.
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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