- InChI
- InChI=1S/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3
- InChI Key
- ZQVJKYPEIPJEIP-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- Cc1cc(C(C)(C)C)cc(C)c1C
- Molecular Weight1
- 176.30
- CAS
- 98-23-7
- Other Names
-
- 5-tert-Butyl-1,2,3-trimethylbenzene
- 1-tert-Butyl-3,4,5-trimethyl-benzene
- Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 144.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.50 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 3.909 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2141.36 | kPa | Joback Calculated Property |
| Inp | [1307.00; 1307.00] |
|
|
| Inp | 1307.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Tboil | 535.23 | K | Joback Calculated Property |
| Tc | 747.59 | K | Joback Calculated Property |
| Tfus | 302.67 | K | Joback Calculated Property |
| Vc | 0.644 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.43; 489.86] | J/mol×K | [535.23; 747.59] |
|
| Cp,gas | 397.43 | J/mol×K | 535.23 | Joback Calculated Property |
| Cp,gas | 415.20 | J/mol×K | 570.62 | Joback Calculated Property |
| Cp,gas | 431.96 | J/mol×K | 606.02 | Joback Calculated Property |
| Cp,gas | 447.77 | J/mol×K | 641.41 | Joback Calculated Property |
| Cp,gas | 462.65 | J/mol×K | 676.81 | Joback Calculated Property |
| Cp,gas | 476.67 | J/mol×K | 712.20 | Joback Calculated Property |
| Cp,gas | 489.86 | J/mol×K | 747.59 | Joback Calculated Property |
| η | [0.0001664; 0.0017896] | Pa×s | [302.67; 535.23] |
|
| η | 0.0017896 | Pa×s | 302.67 | Joback Calculated Property |
| η | 0.0009621 | Pa×s | 341.43 | Joback Calculated Property |
| η | 0.0005870 | Pa×s | 380.19 | Joback Calculated Property |
| η | 0.0003924 | Pa×s | 418.95 | Joback Calculated Property |
| η | 0.0002809 | Pa×s | 457.71 | Joback Calculated Property |
| η | 0.0002118 | Pa×s | 496.47 | Joback Calculated Property |
| η | 0.0001664 | Pa×s | 535.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-t-Butyl-1,2,3-trimethylbenzene.
Sources
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