- InChI
- InChI=1S/C25H51NO/c1-4-7-10-12-14-16-18-20-23-26(25(27)22-9-6-3)24-21-19-17-15-13-11-8-5-2/h4-24H2,1-3H3
- InChI Key
- GHTFJDSNDABPBM-UHFFFAOYSA-N
- Formula
- C25H51NO
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)CC
CC - Molecular Weight1
- 381.68
- 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 | 1.1043 | Relay (1.0) Calculated Property | |
| ΔfG° | 141.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.287 | Crippen Calculated Property | |
| McVol | 374.660 | ml/mol | McGowan Calculated Property |
| Pc | 790.37 | kPa | Joback Calculated Property |
| Inp | [2707.00; 2707.00] |
|
|
| Inp | 2707.00 | NIST | |
| Inp | 2707.00 | NIST | |
| Tboil | 631.66 | K | Relay (1.0) Calculated Property |
| Tc | 828.58 | K | Relay (1.0) Calculated Property |
| Tfus | 301.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.455 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.26; 1336.15] | 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 | -2.31690e+01 | |||
| Coefficient B | 2.47476e+00 | |||
| Coefficient C | -1.43010e-03 | |||
| Coefficient D | 3.14660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 552.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 687.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 808.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 915.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1010.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1094.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1167.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1231.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1287.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1336.15 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N,N-didecyl-.
Sources
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