- InChI
- InChI=1S/C18H35NO3/c1-4-6-8-10-12-14-19(15-13-11-9-7-5-2)18(21)16-22-17(3)20/h4-16H2,1-3H3
- InChI Key
- PBWNUGZZRBCKFE-UHFFFAOYSA-N
- Formula
- C18H35NO3
- SMILES
- CCCCCCCN(CCCCCCC)C(=O)COC(C)=O
- Molecular Weight1
- 313.48
- 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 | 0.9264 | Relay (1.0) Calculated Property | |
| ΔfG° | -227.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.319 | Crippen Calculated Property | |
| McVol | 283.470 | ml/mol | McGowan Calculated Property |
| Pc | 1205.63 | kPa | Joback Calculated Property |
| Inp | [2185.00; 2185.00] |
|
|
| Inp | 2185.00 | NIST | |
| Inp | 2185.00 | NIST | |
| Tboil | 600.43 | K | Relay (1.0) Calculated Property |
| Tc | 780.18 | K | Relay (1.0) Calculated Property |
| Tfus | 308.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.075 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [852.55; 946.51] | J/mol×K | [735.97; 910.36] |
|
| Cp,gas | 852.55 | J/mol×K | 735.97 | Joback Calculated Property |
| Cp,gas | 870.47 | J/mol×K | 765.04 | Joback Calculated Property |
| Cp,gas | 887.45 | J/mol×K | 794.10 | Joback Calculated Property |
| Cp,gas | 903.52 | J/mol×K | 823.17 | Joback Calculated Property |
| Cp,gas | 918.70 | J/mol×K | 852.23 | Joback Calculated Property |
| Cp,gas | 933.02 | J/mol×K | 881.30 | Joback Calculated Property |
| Cp,gas | 946.51 | J/mol×K | 910.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoxyacetamide, N,N-diheptyl-.
Sources
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