- InChI
- InChI=1S/C7H17N/c1-3-5-6-7(8)4-2/h7H,3-6,8H2,1-2H3
- InChI Key
- SRMHHEPXZLWKOK-UHFFFAOYSA-N
- Formula
- C7H17N
- SMILES
- CCCCC(N)CC
- Molecular Weight1
- 115.22
- CAS
- 28292-42-4
- Other Names
-
- 1-ethylpentylamine
- 3-Heptanamine
- 3-Heptylamine
- 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 | 0.4343 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.28 | 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 | 868.00 | NIST | |
| I | 1137.00 | NIST | |
| Tboil | 414.15 ± 3.00 | K | NIST |
| Tc | 591.19 | K | Relay (1.0) Calculated Property |
| Tfus | 206.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.04; 416.97] | 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 | 1.33400e+00 | |||
| Coefficient B | 7.36640e-01 | |||
| Coefficient C | -4.03600e-04 | |||
| Coefficient D | 8.26000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 174.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 215.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 252.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 285.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 314.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 340.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 363.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 383.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 401.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 416.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [313.32; 438.12] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56583e+01 | |||
| Coefficient B | -3.95082e+03 | |||
| Coefficient C | -5.62840e+01 | |||
| Temperature range, min. | 313.32 | |||
| Temperature range, max. | 438.12 | |||
| Pvap | 1.33 | kPa | 313.32 | Calculated Property |
| Pvap | 2.93 | kPa | 327.19 | Calculated Property |
| Pvap | 5.96 | kPa | 341.05 | Calculated Property |
| Pvap | 11.34 | kPa | 354.92 | Calculated Property |
| Pvap | 20.40 | kPa | 368.79 | Calculated Property |
| Pvap | 34.91 | kPa | 382.65 | Calculated Property |
| Pvap | 57.18 | kPa | 396.52 | Calculated Property |
| Pvap | 90.11 | kPa | 410.39 | Calculated Property |
| Pvap | 137.20 | kPa | 424.25 | Calculated Property |
| Pvap | 202.63 | kPa | 438.12 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Aminoheptane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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