- InChI
- InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)
- InChI Key
- PNRAZZZISDRWMV-UHFFFAOYSA-N
- Formula
- C17H27NO2
- SMILES
-
CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C
(C)(C)C - Molecular Weight1
- 277.40
- CAS
- 1918-11-2
- Other Names
-
- Carbamic acid, methyl-, 2,6-di-tert-butyl-p-tolyl ester
- Azak
- Terbutol
- Terbucarb
- MBPMC
- 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 | 0.7361 | Relay (1.0) Calculated Property | |
| ΔfG° | 36.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.308 | Crippen Calculated Property | |
| McVol | 244.050 | ml/mol | McGowan Calculated Property |
| Pc | 1643.09 | kPa | Joback Calculated Property |
| Inp | [1846.00; 1909.00] |
|
|
| Inp | 1874.00 | NIST | |
| Inp | 1851.00 | NIST | |
| Inp | 1898.00 | NIST | |
| Inp | 1909.00 | NIST | |
| Inp | 1874.00 | NIST | |
| Inp | 1846.00 | NIST | |
| Inp | 1909.00 | NIST | |
| Inp | 1874.00 | NIST | |
| Tboil | 569.51 | K | Relay (1.0) Calculated Property |
| Tc | 828.22 | K | Relay (1.0) Calculated Property |
| Tfus | 355.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.895 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [716.88; 804.81] | J/mol×K | [749.98; 964.67] |
|
| Cp,gas | 716.88 | J/mol×K | 749.98 | Joback Calculated Property |
| Cp,gas | 734.17 | J/mol×K | 785.76 | Joback Calculated Property |
| Cp,gas | 750.33 | J/mol×K | 821.54 | Joback Calculated Property |
| Cp,gas | 765.41 | J/mol×K | 857.33 | Joback Calculated Property |
| Cp,gas | 779.47 | J/mol×K | 893.11 | Joback Calculated Property |
| Cp,gas | 792.58 | J/mol×K | 928.89 | Joback Calculated Property |
| Cp,gas | 804.81 | J/mol×K | 964.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, methylcarbamate.
Sources
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