- InChI
- InChI=1S/C10H9NO3/c1-2-14-10(13)8-5-3-4-6-9(8)11-7-12/h3-6H,2H2,1H3
- InChI Key
- HXVGHXDQGUPUKY-UHFFFAOYSA-N
- Formula
- C10H9NO3
- SMILES
- CCOC(=O)c1ccccc1N=C=O
- Molecular Weight1
- 191.18
- CAS
- 76393-16-3
- Other Names
-
- 2-Ethoxycarbonylphenyl isocyanate
- 2-Carbethoxyphenyl isocyanate
- 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 | 0.5878 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -328.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.831 | Crippen Calculated Property | |
| McVol | 142.690 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| Tboil | 531.22 | K | Relay (1.0) Calculated Property |
| Tc | 738.12 | K | Relay (1.0) Calculated Property |
| Tfus | 277.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.516 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Carboethoxyphenyl isocyanate.
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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