- InChI
- InChI=1S/C8H9NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)
- InChI Key
- UOUBPDZUBVJZOQ-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- O=C(NCO)c1ccccc1
- Molecular Weight1
- 151.16
- CAS
- 6282-02-6
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion 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 | 0.7058 | Relay (1.0) Calculated Property | |
| ΔfG° | -47.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -267.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.366 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 4522.49 | kPa | Joback Calculated Property |
| Tboil | 570.26 | K | Relay (1.0) Calculated Property |
| Tc | 835.06 | K | Relay (1.0) Calculated Property |
| Tfus | 384.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.01; 329.07] | J/mol×K | [605.34; 811.80] | 
|
| Cp,gas | 280.01 | J/mol×K | 605.34 | Joback Calculated Property |
| Cp,gas | 289.70 | J/mol×K | 639.75 | Joback Calculated Property |
| Cp,gas | 298.74 | J/mol×K | 674.16 | Joback Calculated Property |
| Cp,gas | 307.16 | J/mol×K | 708.57 | Joback Calculated Property |
| Cp,gas | 315.01 | J/mol×K | 742.98 | Joback Calculated Property |
| Cp,gas | 322.30 | J/mol×K | 777.39 | Joback Calculated Property |
| Cp,gas | 329.07 | J/mol×K | 811.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(hydroxymethyl)benzamide.
Sources
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