- InChI
- InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)
- InChI Key
- NYOKZHDTNBDPOB-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CNC(=O)Oc1cc(C)cc(C)c1C
- Molecular Weight1
- 193.24
- CAS
- 2655-15-4
- Other Names
-
- Carbamic acid, methyl-, 2,3,5-trimethylphenyl ester
- SD 8786
- 2,3,5-Landrin
- 2,3,5-Trimethylphenyl Methylcarbamate
- Landrin B
- 2,3,5-Trimethylphenyl N-methylcarbamate
- 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 | 0.6539 | Relay (1.0) Calculated Property | |
| ΔfG° | -95.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.330 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2576.72 | kPa | Joback Calculated Property |
| Inp | 1666.00 | NIST | |
| Tboil | 546.84 | K | Relay (1.0) Calculated Property |
| Tc | 792.35 | K | Relay (1.0) Calculated Property |
| Tfus | 337.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.578 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.75; 504.18] | 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 | 2.60800e+01 | |||
| Coefficient B | 8.12880e-01 | |||
| Coefficient C | -3.58680e-04 | |||
| Coefficient D | 2.39000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 221.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 269.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 313.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 353.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 388.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 419.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 446.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 469.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 488.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 504.18 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,3,5-trimethyl-, methylcarbamate.
Sources
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