- InChI
- InChI=1S/C14H13NO3/c1-10(16)18-9-14(17)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3,(H,15,17)
- InChI Key
- HPBLLAJQCZIZJI-UHFFFAOYSA-N
- Formula
- C14H13NO3
- SMILES
- CC(=O)OCC(=O)Nc1cccc2ccccc12
- Molecular Weight1
- 243.26
- 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 | 0.6850 | Relay (1.0) Calculated Property | |
| ΔfG° | 2.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.341 | Crippen Calculated Property | |
| McVol | 183.890 | ml/mol | McGowan Calculated Property |
| Pc | 2832.35 | kPa | Joback Calculated Property |
| Inp | [2146.00; 2146.00] |
|
|
| Inp | 2146.00 | NIST | |
| Inp | 2146.00 | NIST | |
| Tboil | 640.42 | K | Relay (1.0) Calculated Property |
| Tc | 921.39 | K | Relay (1.0) Calculated Property |
| Tfus | 416.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.98; 558.87] | J/mol×K | [750.69; 980.88] |
|
| Cp,gas | 497.98 | J/mol×K | 750.69 | Joback Calculated Property |
| Cp,gas | 510.33 | J/mol×K | 789.06 | Joback Calculated Property |
| Cp,gas | 521.71 | J/mol×K | 827.42 | Joback Calculated Property |
| Cp,gas | 532.20 | J/mol×K | 865.79 | Joback Calculated Property |
| Cp,gas | 541.85 | J/mol×K | 904.15 | Joback Calculated Property |
| Cp,gas | 550.72 | J/mol×K | 942.52 | Joback Calculated Property |
| Cp,gas | 558.87 | J/mol×K | 980.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(1-naphthyl)-2-acetoxy-.
Sources
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