- InChI
- InChI=1S/C9H9NO2/c1-2-12-9-5-3-8(4-6-9)10-7-11/h3-6H,2H2,1H3
- InChI Key
- FMYVTFRADSNGDN-UHFFFAOYSA-N
- Formula
- C9H9NO2
- SMILES
- CCOc1ccc(N=C=O)cc1
- Molecular Weight1
- 163.17
- CAS
- 32459-62-4
- Other Names
-
- Benzene, 1-ethoxy-4-isocyanato-
- p-Ethoxy phenyl 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 | 0.5440 | Relay (... Calculated Property | |
| ΔfG° | 5.38 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -151.72 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 57.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.17 | eV | Relay (... Calculated Property |
| log10WS | -2.87 | Relay (... Calculated Property | |
| logPoct/wat | 2.053 | Crippen Calculated Property | |
| McVol | 127.030 | ml/mol | McGowan Calculated Property |
| Pc | 3423.86 | kPa | Joback Calculated Property |
| Tboil | 506.72 | K | Relay (... Calculated Property |
| Tc | 705.90 | K | Relay (... Calculated Property |
| Tfus | 322.09 | K | Relay (... Calculated Property |
| Vc | 0.459 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethoxyphenyl 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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