- InChI
- InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)
- InChI Key
- AUQAUAIUNJIIEP-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CNC(=O)Oc1cc(C)c(C)c(C)c1
- Molecular Weight1
- 193.24
- CAS
- 2686-99-9
- Other Names
-
- Carbamic acid, methyl-, 3,4,5-trimethylphenyl ester
- Landrin
- Shell 8530
- SD 8530
- 3,4,5-Landrin
- 3,4,5-Trimethylphenyl Methylcarbamate
- 3,4,5-Trimethylphenyl N-methylcarbamate
- ENT-25,843
- Methylcarbamic acid 3,4,5-trimethylphenyl ester
- OMS-597
- Shell sd-8530
- 3,4,5-Trimethylfenylester kyseliny methylkarbaminove
- Landrin-3,4,5
- 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 | 0.6572 | Relay (1.0) Calculated Property | |
| ΔfG° | -19.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -387.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.330 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| Tboil | 545.48 | K | Relay (1.0) Calculated Property |
| Tc | 792.27 | K | Relay (1.0) Calculated Property |
| Tfus | 393.80 ± 0.20 | K | NIST |
| Vc | 0.570 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.32; 465.24] | J/mol×K | [619.16; 831.23] | 
|
| Cp,gas | 394.32 | J/mol×K | 619.16 | Joback Calculated Property |
| Cp,gas | 407.94 | J/mol×K | 654.50 | Joback Calculated Property |
| Cp,gas | 420.83 | J/mol×K | 689.85 | Joback Calculated Property |
| Cp,gas | 433.00 | J/mol×K | 725.19 | Joback Calculated Property |
| Cp,gas | 444.46 | J/mol×K | 760.54 | Joback Calculated Property |
| Cp,gas | 455.20 | J/mol×K | 795.88 | Joback Calculated Property |
| Cp,gas | 465.24 | J/mol×K | 831.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3,4,5-trimethyl-, methylcarbamate.
Sources
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