- InChI
- InChI=1S/C7H5NO/c8-6-9-7-4-2-1-3-5-7/h1-5H
- InChI Key
- CWHFDTWZHFRTAB-UHFFFAOYSA-N
- Formula
- C7H5NO
- SMILES
- N#COc1ccccc1
- Molecular Weight1
- 119.12
- CAS
- 1122-85-6
- Other Names
-
- Phenyl cyanate
- ΔcH°liquid : Standard liquid 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°liquid : Liquid 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°liquid | -3557.00 ± 0.80 | kJ/mol | NIST |
| ΔfG° | 148.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 81.38 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | 88.30 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 10.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.34 | kJ/mol | Joback Calculated Property |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.546 | Crippen Calculated Property | |
| McVol | 92.980 | ml/mol | McGowan Calculated Property |
| Pc | 3901.37 | kPa | Joback Calculated Property |
| Tboil | 510.74 | K | Joback Calculated Property |
| Tc | 743.84 | K | Joback Calculated Property |
| Tfus | 282.29 | K | Joback Calculated Property |
| Vc | 0.363 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.47; 227.20] | J/mol×K | [510.74; 743.84] | 
|
| Cp,gas | 181.47 | J/mol×K | 510.74 | Joback Calculated Property |
| Cp,gas | 190.45 | J/mol×K | 549.59 | Joback Calculated Property |
| Cp,gas | 198.87 | J/mol×K | 588.44 | Joback Calculated Property |
| Cp,gas | 206.75 | J/mol×K | 627.29 | Joback Calculated Property |
| Cp,gas | 214.08 | J/mol×K | 666.14 | Joback Calculated Property |
| Cp,gas | 220.90 | J/mol×K | 704.99 | Joback Calculated Property |
| Cp,gas | 227.20 | J/mol×K | 743.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanic acid, phenyl ester.
Sources
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