- InChI
- InChI=1S/C8H19N/c1-4-7-9(6-3)8-5-2/h4-8H2,1-3H3
- InChI Key
- XWCCTMBMQUCLSI-UHFFFAOYSA-N
- Formula
- C8H19N
- SMILES
- CCCN(CC)CCC
- Molecular Weight1
- 129.25
- Other Names
-
- 1-Propanamine, N-ethyl-N-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).
- 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 | 0.4073 | Relay (1.0) Calculated Property | |
| ΔfG° | 127.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 133.560 | ml/mol | McGowan Calculated Property |
| Pc | 2530.27 | kPa | Joback Calculated Property |
| Inp | [834.00; 838.00] |
|
|
| Inp | 838.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 836.00 | NIST | |
| Tboil | [402.15; 404.15] | K |
|
| Tboil | 404.15 ± 3.00 | K | NIST |
| Tboil | 402.15 ± 3.00 | K | NIST |
| Tc | 566.46 | K | Relay (1.0) Calculated Property |
| Tfus | 170.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.498 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.70; 470.08] | 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 | -1.50750e+01 | |||
| Coefficient B | 8.87760e-01 | |||
| Coefficient C | -5.24000e-04 | |||
| Coefficient D | 1.21400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 238.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 281.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 319.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 353.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 383.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 409.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 432.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 452.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 470.08 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Di-n-propylethylamine.
Sources
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