- InChI
- InChI=1S/C12H18/c1-5-12(3,4)11-8-6-10(2)7-9-11/h6-9H,5H2,1-4H3
- InChI Key
- HTICYVWLHLMMPF-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCC(C)(C)c1ccc(C)cc1
- Molecular Weight1
- 162.27
- Other Names
-
- 1-(1,1-dimethylpropyl)-4-methylbenzene
- 1-methyl-4-tert-pentylbenzene
- benzene, 1-(1,1-dimethylpropyl)-4-methyl-
- p-tert-amyltoluene
- toluene, p-tert-pentyl-
- 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.
- I : 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° | 155.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -74.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.95 | kJ/mol | Joback Calculated Property |
| log10WS | -3.68 | Crippen Calculated Property | |
| logPoct/wat | 3.683 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2414.74 | kPa | Joback Calculated Property |
| Inp | 1192.00 | NIST | |
| I | [1401.00; 1453.00] |
|
|
| I | 1411.00 | NIST | |
| I | 1414.00 | NIST | |
| I | 1428.00 | NIST | |
| I | 1442.00 | NIST | |
| I | 1453.00 | NIST | |
| I | 1401.00 | NIST | |
| Tboil | 502.39 | K | Joback Calculated Property |
| Tc | 715.84 | K | Joback Calculated Property |
| Tfus | 266.36 | K | Joback Calculated Property |
| Vc | 0.589 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.05; 440.60] | J/mol×K | [502.39; 715.84] |
|
| Cp,gas | 349.05 | J/mol×K | 502.39 | Joback Calculated Property |
| Cp,gas | 366.88 | J/mol×K | 537.97 | Joback Calculated Property |
| Cp,gas | 383.61 | J/mol×K | 573.54 | Joback Calculated Property |
| Cp,gas | 399.29 | J/mol×K | 609.12 | Joback Calculated Property |
| Cp,gas | 413.98 | J/mol×K | 644.69 | Joback Calculated Property |
| Cp,gas | 427.73 | J/mol×K | 680.27 | Joback Calculated Property |
| Cp,gas | 440.60 | J/mol×K | 715.84 | Joback Calculated Property |
| η | [0.0001927; 0.0036209] | Pa×s | [266.36; 502.39] |
|
| η | 0.0036209 | Pa×s | 266.36 | Joback Calculated Property |
| η | 0.0016213 | Pa×s | 305.70 | Joback Calculated Property |
| η | 0.0008720 | Pa×s | 345.04 | Joback Calculated Property |
| η | 0.0005324 | Pa×s | 384.38 | Joback Calculated Property |
| η | 0.0003563 | Pa×s | 423.71 | Joback Calculated Property |
| η | 0.0002553 | Pa×s | 463.05 | Joback Calculated Property |
| η | 0.0001927 | Pa×s | 502.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-4-(1,1-dimethylpropyl).
Sources
- Crippen Method
- Crippen Method
- Thermochemistry of ionic liquid-catalysed reactions. Isomerisation and transalkylation of tert-alkyl-benzenes. Are these systems ideal?
- Joback Method
- McGowan Method
- NIST Webbook
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