- InChI
- InChI=1S/C15H23NO2/c1-2-3-4-5-6-10-13-18-15(17)16-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H,16,17)
- InChI Key
- PPGXIFWHXQZPKV-UHFFFAOYSA-N
- Formula
- C15H23NO2
- SMILES
- CCCCCCCCOC(O)=Nc1ccccc1
- Molecular Weight1
- 249.35
- CAS
- 6327-52-2
- Other Names
-
- Carbanilic acid, n-octyl ester
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 | 0.9486 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -404.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.609 | Crippen Calculated Property | |
| McVol | 215.870 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Tboil | 596.34 | K | Relay (1.0) Calculated Property |
| Tc | 816.71 | K | Relay (1.0) Calculated Property |
| Tfus | 339.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.798 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, phenyl-, octyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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