- InChI
- InChI=1S/C10H13NO2/c1-3-13-10(12)11-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,11,12)
- InChI Key
- XYSNXNHHBUFLLV-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- CCOC(O)=Nc1cccc(C)c1
- Molecular Weight1
- 179.22
- 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).
- 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 | 0.7330 | Relay (1.0) Calculated Property | |
| ΔfG° | -25.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -319.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.577 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 2808.38 | kPa | Joback Calculated Property |
| Inp | [1490.00; 1497.00] |
|
|
| Inp | 1490.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Tboil | 555.46 | K | Relay (1.0) Calculated Property |
| Tc | 754.22 | K | Relay (1.0) Calculated Property |
| Tfus | 325.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.525 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, 3-methylphenyl, ethyl 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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