- InChI
- InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
- InChI Key
- VOEYXMAFNDNNED-UHFFFAOYSA-N
- Formula
- C9H11NO2
- SMILES
- CNC(=O)Oc1cccc(C)c1
- Molecular Weight1
- 165.19
- CAS
- 1129-41-5
- Other Names
-
- 3-Methylphenyl Methylcarbamate
- 3-Methylphenyl N-methylcarbamate
- 3-Tolyl N-methylcarbamate
- 3-Tolyl methylcarbamate
- Carbamic acid, N-methyl-, 3-methylphenyl ester
- Carbamic acid, methyl-, 3-tolyl ester
- Carbamic acid, methyl-, m-tolyl ester
- DRC 3341
- Kumiai
- MTMC
- Metacrate
- Metholcarb
- Methylcarbamic acid m-tolyl ester
- Metolcarb
- NSC 91193
- S 1065
- Tsumacide
- Tsumaunka
- m-Cresyl N-methylcarbamate
- m-Cresyl ester of N-methylcarbamic acid
- m-Cresyl methylcarbamate
- m-Methylphenyl methylcarbamate
- m-Tolyl N-methylcarbamate
- m-Tolyl methylcarbamate
- m-Tolylester kyseliny methylkarbaminove
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -324.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.19 | kJ/mol | Joback Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.80 | Aq. Solubility Prediction | |
| logPoct/wat | 1.713 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Inp | [1392.00; 1465.00] |
|
|
| Inp | 1465.00 | NIST | |
| Inp | 1392.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1411.00 | NIST | |
| Ip | 2048.00 | NIST | |
| Tboil | 521.32 | K | Relay (1.0) Calculated Property |
| Tc | 763.85 | K | Relay (1.0) Calculated Property |
| Tfus | [349.65; 349.65] | K |
|
| Tfus | 349.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 349.65 | K | Aq. Solubility Prediction |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.22; 407.08] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.00000e-01 | |||
| Coefficient B | 7.41840e-01 | |||
| Coefficient C | -3.83960e-04 | |||
| Coefficient D | 4.99000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 174.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 215.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 253.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 286.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 315.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 341.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 362.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 395.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 407.08 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, methyl-, 3-methylphenyl ester.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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