- InChI
- InChI=1S/C12H23NO3/c1-4-6-8-13(9-7-5-2)12(15)10-16-11(3)14/h4-10H2,1-3H3
- InChI Key
- JINIWBPZITXABM-UHFFFAOYSA-N
- Formula
- C12H23NO3
- SMILES
- CCCCN(CCCC)C(=O)COC(C)=O
- Molecular Weight1
- 229.32
- 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 | 0.7172 | Relay (1.0) Calculated Property | |
| ΔfG° | -278.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.978 | Crippen Calculated Property | |
| McVol | 198.930 | ml/mol | McGowan Calculated Property |
| Pc | 1883.80 | kPa | Joback Calculated Property |
| Inp | [1630.00; 1630.00] |
|
|
| Inp | 1630.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Tboil | 547.16 | K | Relay (1.0) Calculated Property |
| Tc | 716.41 | K | Relay (1.0) Calculated Property |
| Tfus | 281.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.82; 673.58] | 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 | 1.40570e+01 | |||
| Coefficient B | 1.18496e+00 | |||
| Coefficient C | -6.28300e-04 | |||
| Coefficient D | 1.02860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 292.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 359.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 418.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 471.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 518.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 560.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 595.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 626.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 652.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 673.58 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetoxyacetamide, N,N-dibutyl-.
Sources
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