- InChI
- InChI=1S/C19H38ClNO/c1-5-9-11-17(7-3)15-21(19(22)13-14-20)16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3
- InChI Key
- LJNYXXQVVFXPTJ-UHFFFAOYSA-N
- Formula
- C19H38ClNO
- SMILES
-
CCCCC(CC)CN(CC(CC)CCCC)C(=O)CC
Cl - 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 | 0.8195 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -608.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.877 | Crippen Calculated Property | |
| McVol | 302.360 | ml/mol | McGowan Calculated Property |
| Pc | 1109.63 | kPa | Joback Calculated Property |
| Inp | [2143.00; 2143.00] |
|
|
| Inp | 2143.00 | NIST | |
| Inp | 2143.00 | NIST | |
| Tboil | 607.40 | K | Relay (1.0) Calculated Property |
| Tc | 806.70 | K | Relay (1.0) Calculated Property |
| Tfus | 254.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.081 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.86; 997.07] | J/mol×K | [736.98; 913.70] |
|
| Cp,gas | 895.86 | J/mol×K | 736.98 | Joback Calculated Property |
| Cp,gas | 915.00 | J/mol×K | 766.43 | Joback Calculated Property |
| Cp,gas | 933.18 | J/mol×K | 795.89 | Joback Calculated Property |
| Cp,gas | 950.44 | J/mol×K | 825.34 | Joback Calculated Property |
| Cp,gas | 966.81 | J/mol×K | 854.80 | Joback Calculated Property |
| Cp,gas | 982.34 | J/mol×K | 884.25 | Joback Calculated Property |
| Cp,gas | 997.07 | J/mol×K | 913.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-bis(2-ethylhexyl)-3-chloro-.
Sources
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