- InChI
- InChI=1S/C6H14ClN/c1-3-5-8(2)6-4-7/h3-6H2,1-2H3
- InChI Key
- HOOCCUKDJXWUCS-UHFFFAOYSA-N
- Formula
- C6H14ClN
- SMILES
- CCCN(C)CCCl
- Molecular Weight1
- 135.64
- Other Names
-
- ethanamine, 2-chloro, N-methyl, 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 | 0.3746 | Relay (1.0) Calculated Property | |
| ΔfG° | 98.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.567 | Crippen Calculated Property | |
| McVol | 117.620 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Inp | [923.16; 923.16] |
|
|
| Inp | 923.16 | NIST | |
| Inp | 923.16 | NIST | |
| Tboil | 418.96 | K | Relay (1.0) Calculated Property |
| Tc | 602.96 | K | Relay (1.0) Calculated Property |
| Tfus | 173.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.68; 375.17] | 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 | -3.66000e-01 | |||
| Coefficient B | 7.04540e-01 | |||
| Coefficient C | -4.35600e-04 | |||
| Coefficient D | 1.06600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 199.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 232.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 261.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 287.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 310.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 329.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 346.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 361.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 375.17 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-Methyl-N-propyl aminoethyl-2-chloride.
Sources
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