- InChI
- InChI=1S/C8H9NO2/c1-9-8(10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
- InChI Key
- SCWKRWCUMCMVPW-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- CNC(=O)Oc1ccccc1
- Molecular Weight1
- 151.17
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -15.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -163.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.27 | kJ/mol | Joback Calculated Property |
| log10WS | [-1.80; -1.80] |
|
|
| log10WS | -1.80 | Aq. Sol... | |
| log10WS | -1.80 | Estimat... | |
| logPoct/wat | 1.405 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3925.85 | kPa | Joback Calculated Property |
| Tboil | 535.58 | K | Joback Calculated Property |
| Tc | 755.73 | K | Joback Calculated Property |
| Tfus | 331.16 | K | Joback Calculated Property |
| Vc | 0.434 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.09; 317.41] | J/mol×K | [535.58; 755.73] |
|
| Cp,gas | 257.09 | J/mol×K | 535.58 | Joback Calculated Property |
| Cp,gas | 268.87 | J/mol×K | 572.27 | Joback Calculated Property |
| Cp,gas | 279.94 | J/mol×K | 608.96 | Joback Calculated Property |
| Cp,gas | 290.31 | J/mol×K | 645.65 | Joback Calculated Property |
| Cp,gas | 300.01 | J/mol×K | 682.34 | Joback Calculated Property |
| Cp,gas | 309.03 | J/mol×K | 719.03 | Joback Calculated Property |
| Cp,gas | 317.41 | J/mol×K | 755.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Metolcarb.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
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