- InChI
- InChI=1S/C19H38ClNO/c1-3-5-7-9-11-13-17-21(19(22)15-16-20)18-14-12-10-8-6-4-2/h3-18H2,1-2H3
- InChI Key
- SLCJNBBZBLGJLW-UHFFFAOYSA-N
- Formula
- C19H38ClNO
- SMILES
- CCCCCCCCN(CCCCCCCC)C(=O)CCCl
- Molecular Weight1
- 331.96
- 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 | 0.9319 | Relay (1.0) Calculated Property | |
| ΔfG° | 79.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.165 | Crippen Calculated Property | |
| McVol | 302.360 | ml/mol | McGowan Calculated Property |
| Pc | 1097.90 | kPa | Joback Calculated Property |
| Inp | [2361.00; 2361.00] |
|
|
| Inp | 2361.00 | NIST | |
| Inp | 2361.00 | NIST | |
| Tboil | 609.72 | K | Relay (1.0) Calculated Property |
| Tc | 813.88 | K | Relay (1.0) Calculated Property |
| Tfus | 303.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.137 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [894.96; 994.74] | J/mol×K | [737.86; 911.70] |
|
| Cp,gas | 894.96 | J/mol×K | 737.86 | Joback Calculated Property |
| Cp,gas | 913.75 | J/mol×K | 766.83 | Joback Calculated Property |
| Cp,gas | 931.63 | J/mol×K | 795.81 | Joback Calculated Property |
| Cp,gas | 948.63 | J/mol×K | 824.78 | Joback Calculated Property |
| Cp,gas | 964.79 | J/mol×K | 853.75 | Joback Calculated Property |
| Cp,gas | 980.15 | J/mol×K | 882.73 | Joback Calculated Property |
| Cp,gas | 994.74 | J/mol×K | 911.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-dioctyl-3-chloro-.
Sources
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