- InChI
- InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3
- InChI Key
- CLJMMQGDJNYDER-UHFFFAOYSA-N
- Formula
- C7H17N
- SMILES
- CCCC(N)CCC
- Molecular Weight1
- 115.22
- CAS
- 16751-59-0
- Other Names
-
- 1-Propylbutanamine
- 1-Propylbutylamine
- 4-Heptanamine
- 4-Heptylamine
- Butylamine, 1-propyl-
- 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).
- 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 | 0.4409 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.21 | 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 |
| Tboil | 409.25 | K | Relay (1.0) Calculated Property |
| Tc | 584.18 | K | Relay (1.0) Calculated Property |
| Tfus | 220.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | 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; 202.64] | kPa | [312.12; 444.59] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50297e+01 | |||
| Coefficient B | -3.77771e+03 | |||
| Coefficient C | -5.58670e+01 | |||
| Temperature range, min. | 312.12 | |||
| Temperature range, max. | 444.59 | |||
| Pvap | 1.33 | kPa | 312.12 | Calculated Property |
| Pvap | 2.97 | kPa | 326.84 | Calculated Property |
| Pvap | 6.09 | kPa | 341.56 | Calculated Property |
| Pvap | 11.64 | kPa | 356.28 | Calculated Property |
| Pvap | 20.94 | kPa | 371.00 | Calculated Property |
| Pvap | 35.76 | kPa | 385.71 | Calculated Property |
| Pvap | 58.32 | kPa | 400.43 | Calculated Property |
| Pvap | 91.39 | kPa | 415.15 | Calculated Property |
| Pvap | 138.24 | kPa | 429.87 | Calculated Property |
| Pvap | 202.64 | kPa | 444.59 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-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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