- InChI
- InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3
- InChI Key
- CWYZDPHNAGSFQB-UHFFFAOYSA-N
- Formula
- C7H17N
- SMILES
- CCCCNCCC
- Molecular Weight1
- 115.22
- CAS
- 20193-21-9
- Other Names
-
- Butylamine, N-propyl-
- Butylpropylamine
- N-Butyl-N-propylamine
- N-Propyl-1-butylamine
- N-Propylbutylamine
- propylbutyl-amine
- 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.
- 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 | 0.4546 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.786 | Crippen Calculated Property | |
| McVol | 119.470 | ml/mol | McGowan Calculated Property |
| Pc | 2838.39 | kPa | Joback Calculated Property |
| Inp | 847.00 | NIST | |
| Tboil | 406.33 | K | Relay (1.0) Calculated Property |
| Tc | 572.95 | K | Relay (1.0) Calculated Property |
| Tfus | 202.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.461 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.16; 417.36] | 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 | -4.68500e+00 | |||
| Coefficient B | 7.45040e-01 | |||
| Coefficient C | -4.05600e-04 | |||
| Coefficient D | 8.26000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 170.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 211.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 249.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 282.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 312.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 339.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 362.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 383.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 401.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 417.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [307.32; 433.00] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54299e+01 | |||
| Coefficient B | -3.83283e+03 | |||
| Coefficient C | -5.41990e+01 | |||
| Temperature range, min. | 307.32 | |||
| Temperature range, max. | 433.00 | |||
| Pvap | 1.33 | kPa | 307.32 | Calculated Property |
| Pvap | 2.94 | kPa | 321.28 | Calculated Property |
| Pvap | 6.00 | kPa | 335.25 | Calculated Property |
| Pvap | 11.45 | kPa | 349.21 | Calculated Property |
| Pvap | 20.59 | kPa | 363.18 | Calculated Property |
| Pvap | 35.21 | kPa | 377.14 | Calculated Property |
| Pvap | 57.59 | kPa | 391.11 | Calculated Property |
| Pvap | 90.57 | kPa | 405.07 | Calculated Property |
| Pvap | 137.59 | kPa | 419.04 | Calculated Property |
| Pvap | 202.66 | kPa | 433.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanamine, N-propyl-.
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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