- 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° | 47.04 | 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 | NIST | |
| Tboil | 434.77 | K | Relay (1.0) Calculated Property |
| Tc | 616.59 | K | Relay (1.0) Calculated Property |
| Tfus | 189.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.468 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.07; 320.63] | J/mol×K | [409.43; 579.67] | 
|
| Cp,gas | 252.07 | J/mol×K | 409.43 | Joback Calculated Property |
| Cp,gas | 264.79 | J/mol×K | 437.80 | Joback Calculated Property |
| Cp,gas | 276.97 | J/mol×K | 466.18 | Joback Calculated Property |
| Cp,gas | 288.63 | J/mol×K | 494.55 | Joback Calculated Property |
| Cp,gas | 299.78 | J/mol×K | 522.92 | Joback Calculated Property |
| Cp,gas | 310.44 | J/mol×K | 551.30 | Joback Calculated Property |
| Cp,gas | 320.63 | J/mol×K | 579.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanamine, 3-chloro-N,N-diethyl-.
Sources
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