- InChI
- InChI=1S/C9H11NO2/c1-7-5-3-4-6-8(7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
- InChI Key
- JDIMVGGWYBWUIS-UHFFFAOYSA-N
- Formula
- C9H11NO2
- SMILES
- CNC(=O)Oc1ccccc1C
- Molecular Weight1
- 165.19
- CAS
- 1128-78-5
- Other Names
-
- Carbamic acid, N-methyl, 2-methylphenyl ester
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5838 | Relay (1.0) Calculated Property | |
| ΔfG° | -16.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.713 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Inp | 1584.00 | NIST | |
| Tboil | 516.46 | K | Relay (1.0) Calculated Property |
| Tc | 758.77 | K | Relay (1.0) Calculated Property |
| Tfus | 320.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.19; 365.43] | J/mol×K | [563.44; 780.85] | 
|
| Cp,gas | 301.19 | J/mol×K | 563.44 | Joback Calculated Property |
| Cp,gas | 313.64 | J/mol×K | 599.68 | Joback Calculated Property |
| Cp,gas | 325.37 | J/mol×K | 635.91 | Joback Calculated Property |
| Cp,gas | 336.41 | J/mol×K | 672.15 | Joback Calculated Property |
| Cp,gas | 346.75 | J/mol×K | 708.38 | Joback Calculated Property |
| Cp,gas | 356.42 | J/mol×K | 744.62 | Joback Calculated Property |
| Cp,gas | 365.43 | J/mol×K | 780.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylphenyl-N-methylcarbamate.
Sources
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