- InChI
- InChI=1S/C16H33NO/c1-4-6-8-9-10-11-12-13-15-17(3)16(18)14-7-5-2/h4-15H2,1-3H3
- InChI Key
- WFACWDGRFAIWKP-UHFFFAOYSA-N
- Formula
- C16H33NO
- SMILES
- CCCCCCCCCCN(C)C(=O)CCCC
- Molecular Weight1
- 255.44
- 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 | 0.7959 | Relay (1.0) Calculated Property | |
| ΔfG° | 65.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.776 | Crippen Calculated Property | |
| McVol | 247.850 | ml/mol | McGowan Calculated Property |
| Pc | 1378.88 | kPa | Joback Calculated Property |
| Inp | 1941.00 | NIST | |
| Tboil | 570.27 | K | Relay (1.0) Calculated Property |
| Tc | 764.08 | K | Relay (1.0) Calculated Property |
| Tfus | 278.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.965 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.34; 871.83] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.49880e+01 | |||
| Coefficient B | 1.61976e+00 | |||
| Coefficient C | -9.40500e-04 | |||
| Coefficient D | 2.07560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 361.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 449.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 528.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 598.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 660.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 714.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 762.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 804.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 840.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 871.83 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-decyl-N-methyl-.
Sources
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