- InChI
- InChI=1S/C10H9NO3/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,13)
- InChI Key
- GQBIVYSGPXCELZ-UHFFFAOYSA-N
- Formula
- C10H9NO3
- SMILES
- O=C1OC(O)=NC1Cc1ccccc1
- Molecular Weight1
- 191.18
- CAS
- 1892-35-9
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°solid | -4668.90 ± 3.30 | kJ/mol | NIST |
| ΔfG° | -26.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.37 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -552.40 ± 3.40 | kJ/mol | NIST |
| ΔfusH° | 27.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.99 | kJ/mol | Joback Calculated Property |
| log10WS | -1.46 | Crippen Calculated Property | |
| logPoct/wat | 1.068 | Crippen Calculated Property | |
| McVol | 136.130 | ml/mol | McGowan Calculated Property |
| Pc | 4288.66 | kPa | Joback Calculated Property |
| Tboil | 714.95 | K | Joback Calculated Property |
| Tc | 954.94 | K | Joback Calculated Property |
| Tfus | 480.21 | K | Joback Calculated Property |
| Vc | 0.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [391.26; 450.94] | J/mol×K | [714.95; 954.94] | 
|
| Cp,gas | 391.26 | J/mol×K | 714.95 | Joback Calculated Property |
| Cp,gas | 403.98 | J/mol×K | 754.95 | Joback Calculated Property |
| Cp,gas | 415.60 | J/mol×K | 794.95 | Joback Calculated Property |
| Cp,gas | 426.12 | J/mol×K | 834.95 | Joback Calculated Property |
| Cp,gas | 435.52 | J/mol×K | 874.94 | Joback Calculated Property |
| Cp,gas | 443.80 | J/mol×K | 914.94 | Joback Calculated Property |
| Cp,gas | 450.94 | J/mol×K | 954.94 | Joback Calculated Property |
Similar Compounds
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Sources
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