- InChI
- InChI=1S/C22H45NO/c1-5-7-9-11-13-15-17-19-23(22(24)21(3)4)20-18-16-14-12-10-8-6-2/h21H,5-20H2,1-4H3
- InChI Key
- KPJYYRFCGJJJLR-UHFFFAOYSA-N
- Formula
- C22H45NO
- SMILES
-
CCCCCCCCCN(CCCCCCCCC)C(=O)C(C)
C - Molecular Weight1
- 339.60
- 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 | 0.9675 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -619.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.972 | Crippen Calculated Property | |
| McVol | 332.390 | ml/mol | McGowan Calculated Property |
| Pc | 940.37 | kPa | Joback Calculated Property |
| Inp | [2355.00; 2355.00] |
|
|
| Inp | 2355.00 | NIST | |
| Inp | 2355.00 | NIST | |
| Tboil | 600.07 | K | Relay (1.0) Calculated Property |
| Tc | 793.84 | K | Relay (1.0) Calculated Property |
| Tfus | 301.37 | K | Relay (1.0) Calculated Property |
| Vc | 1.284 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1041.63; 1153.12] | J/mol×K | [768.63; 944.19] |
|
| Cp,gas | 1041.63 | J/mol×K | 768.63 | Joback Calculated Property |
| Cp,gas | 1062.65 | J/mol×K | 797.89 | Joback Calculated Property |
| Cp,gas | 1082.65 | J/mol×K | 827.15 | Joback Calculated Property |
| Cp,gas | 1101.65 | J/mol×K | 856.41 | Joback Calculated Property |
| Cp,gas | 1119.70 | J/mol×K | 885.67 | Joback Calculated Property |
| Cp,gas | 1136.84 | J/mol×K | 914.93 | Joback Calculated Property |
| Cp,gas | 1153.12 | J/mol×K | 944.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-dinonyl-2-methyl-.
Sources
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