- InChI
- InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
- InChI Key
- ASSKVPFEZFQQNQ-UHFFFAOYSA-N
- Formula
- C7H5NO2
- SMILES
- O=c1[nH]c2ccccc2o1
- Molecular Weight1
- 135.12
- CAS
- 59-49-4
- Other Names
-
- 2-Benzoxazolinone
- Carbamic acid, (2-hydroxyphenyl)-, «gamma»-lactone
- 2-Benzoxazolol
- 2-Benzoxazolone
- Benzoxazolone
- Benzoxazole, 2-hydroxy-
- Benzoxazolinone
- USAF EK-5429
- 2-Hydroxybenzoxazole
- NSC 3812
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.4816 | Relay (... Calculated Property | |
| ΔfG° | -53.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -219.56 | kJ/mol | Relay (... Calculated Property |
| ΔsubH° | 97.60 ± 2.20 | kJ/mol | NIST |
| ΔvapH° | 81.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 | eV | Relay (... Calculated Property |
| log10WS | -1.78 | Relay (... Calculated Property | |
| logPoct/wat | 0.639 | Crippen Calculated Property | |
| McVol | 92.290 | ml/mol | McGowan Calculated Property |
| Pc | 5340.25 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 571.49 | K | Relay (... Calculated Property |
| Tc | 808.93 | K | Relay (... Calculated Property |
| Tfus | 410.65 ± 1.50 | K | NIST |
| Vc | 0.354 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-Benzoxazolone.
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
- McGowan Method
- NIST Webbook
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