- InChI
- InChI=1S/C22H37NO/c1-3-5-6-7-8-9-10-11-15-20-23(4-2)22(24)19-18-21-16-13-12-14-17-21/h12-14,16-17H,3-11,15,18-20H2,1-2H3
- InChI Key
- VUTSAAWQKCYWNG-UHFFFAOYSA-N
- Formula
- C22H37NO
- SMILES
-
CCCCCCCCCCCN(CC)C(=O)CCc1ccccc
1 - Molecular Weight1
- 331.54
- 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 | 0.9257 | Relay (1.0) Calculated Property | |
| ΔfG° | 228.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.999 | Crippen Calculated Property | |
| McVol | 308.630 | ml/mol | McGowan Calculated Property |
| Pc | 1158.50 | kPa | Joback Calculated Property |
| Inp | [2897.00; 2897.00] |
|
|
| Inp | 2897.00 | NIST | |
| Inp | 2897.00 | NIST | |
| Tboil | 636.01 | K | Relay (1.0) Calculated Property |
| Tc | 849.83 | K | Relay (1.0) Calculated Property |
| Tfus | 287.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.158 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [956.79; 1056.74] | J/mol×K | [795.75; 985.91] |
|
| Cp,gas | 956.79 | J/mol×K | 795.75 | Joback Calculated Property |
| Cp,gas | 975.98 | J/mol×K | 827.44 | Joback Calculated Property |
| Cp,gas | 994.08 | J/mol×K | 859.14 | Joback Calculated Property |
| Cp,gas | 1011.14 | J/mol×K | 890.83 | Joback Calculated Property |
| Cp,gas | 1027.24 | J/mol×K | 922.52 | Joback Calculated Property |
| Cp,gas | 1042.42 | J/mol×K | 954.22 | Joback Calculated Property |
| Cp,gas | 1056.74 | J/mol×K | 985.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-ethyl-N-undecyl-.
Sources
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