- InChI
- InChI=1S/C16H31NO3/c1-4-6-8-10-12-17(13-11-9-7-5-2)16(19)14-20-15(3)18/h4-14H2,1-3H3
- InChI Key
- IVLFEIWEQQLURU-UHFFFAOYSA-N
- Formula
- C16H31NO3
- SMILES
- CCCCCCN(CCCCCC)C(=O)COC(C)=O
- Molecular Weight1
- 285.42
- 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 | 0.8550 | Relay (1.0) Calculated Property | |
| ΔfG° | -168.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -779.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.539 | Crippen Calculated Property | |
| McVol | 255.290 | ml/mol | McGowan Calculated Property |
| Pc | 1427.22 | kPa | Joback Calculated Property |
| Inp | [1994.00; 1994.00] |
|
|
| Inp | 1994.00 | NIST | |
| Inp | 1994.00 | NIST | |
| Tboil | 584.42 | K | Relay (1.0) Calculated Property |
| Tc | 757.23 | K | Relay (1.0) Calculated Property |
| Tfus | 305.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.962 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.72; 834.42] | J/mol×K | [708.08; 883.14] |
|
| Cp,gas | 744.72 | J/mol×K | 708.08 | Joback Calculated Property |
| Cp,gas | 761.70 | J/mol×K | 737.26 | Joback Calculated Property |
| Cp,gas | 777.84 | J/mol×K | 766.43 | Joback Calculated Property |
| Cp,gas | 793.16 | J/mol×K | 795.61 | Joback Calculated Property |
| Cp,gas | 807.68 | J/mol×K | 824.79 | Joback Calculated Property |
| Cp,gas | 821.43 | J/mol×K | 853.96 | Joback Calculated Property |
| Cp,gas | 834.42 | J/mol×K | 883.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoxyacetamide, N,N-dihexyl-.
Sources
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