- InChI
- InChI=1S/C7H16ClN/c1-4-9(5-2)6-7(3)8/h7H,4-6H2,1-3H3
- InChI Key
- QOHJWGXVMZSTAZ-UHFFFAOYSA-N
- Formula
- C7H16ClN
- SMILES
- CCN(CC)CC(C)Cl
- Molecular Weight1
- 149.66
- CAS
- 761-21-7
- Other Names
-
- 2-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 | 0.3739 | Relay (1.0) Calculated Property | |
| ΔfG° | 104.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.956 | Crippen Calculated Property | |
| McVol | 131.710 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Inp | 924.00 | NIST | |
| Tboil | 428.97 | K | Relay (1.0) Calculated Property |
| Tc | 599.98 | K | Relay (1.0) Calculated Property |
| Tfus | 194.88 | 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 | [182.58; 427.30] | 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 | -2.95700e+00 | |||
| Coefficient B | 8.05460e-01 | |||
| Coefficient C | -4.93200e-04 | |||
| Coefficient D | 1.18000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 182.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 225.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 263.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 297.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 326.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 352.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 375.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 395.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 412.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 427.30 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Diethylamino-2-chloropropane.
Sources
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