- InChI
- InChI=1S/C24H47NO3/c1-4-6-8-10-12-14-16-18-20-25(24(27)22-28-23(3)26)21-19-17-15-13-11-9-7-5-2/h4-22H2,1-3H3
- InChI Key
- MJTIDZIVMDBOBB-UHFFFAOYSA-N
- Formula
- C24H47NO3
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)CO
C(C)=O - Molecular Weight1
- 397.64
- 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 | 1.1386 | Relay (1.0) Calculated Property | |
| ΔfG° | -177.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.659 | Crippen Calculated Property | |
| McVol | 368.010 | ml/mol | McGowan Calculated Property |
| Pc | 837.24 | kPa | Joback Calculated Property |
| Inp | 2778.00 | NIST | |
| Tboil | 641.71 | K | Relay (1.0) Calculated Property |
| Tc | 826.80 | K | Relay (1.0) Calculated Property |
| Tfus | 327.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.411 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.38; 1292.67] | 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 | 3.14900e+00 | |||
| Coefficient B | 2.32496e+00 | |||
| Coefficient C | -1.28110e-03 | |||
| Coefficient D | 2.45660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 547.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 676.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 791.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 894.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 985.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1066.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1136.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1196.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1248.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1292.67 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetoxyacetamide, N,N-didecyl-.
Sources
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