- InChI
- InChI=1S/C7H16ClN/c1-3-9(4-2)7-5-6-8/h3-7H2,1-2H3
- InChI Key
- WVUULNDRFBHTFG-UHFFFAOYSA-N
- Formula
- C7H16ClN
- SMILES
- CCN(CC)CCCCl
- Molecular Weight1
- 149.66
- CAS
- 104-77-8
- Other Names
-
- 3-chloropropyl(diethyl)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).
- 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 | 0.4076 | Relay (1.0) Calculated Property | |
| ΔfG° | 106.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -164.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.957 | Crippen Calculated Property | |
| McVol | 131.710 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| Inp | [975.00; 975.00] |
|
|
| Inp | 975.00 | NIST | |
| Inp | 975.00 | NIST | |
| Tboil | 434.77 | K | Relay (1.0) Calculated Property |
| Tc | 622.29 | K | Relay (1.0) Calculated Property |
| Tfus | 188.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.89; 426.77] | 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 | -1.27500e+00 | |||
| Coefficient B | 7.99540e-01 | |||
| Coefficient C | -4.90000e-04 | |||
| Coefficient D | 1.18500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 182.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 225.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 263.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 296.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 326.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 352.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 374.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 394.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 411.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 426.77 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanamine, 3-chloro-N,N-diethyl-.
Sources
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