- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 72.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -159.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.43 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen 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 | 614.39 | K | Joback Calculated Property |
| Tfus | 236.91 | K | Joback Calculated Property |
| Vc | 0.451 | m3/kmol | Joback 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; 202.63] | kPa | [313.32; 438.12] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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