- InChI
- InChI=1S/C13H16/c1-5-6-7-13-11(3)9-8-10(2)12(13)4/h5-9H,1H2,2-4H3/b7-6+
- InChI Key
- CBIAGJZZVUQDOC-VOTSOKGWSA-N
- Formula
- C13H16
- SMILES
- C=CC=Cc1c(C)ccc(C)c1C
- Molecular Weight1
- 172.27
- Other Names
-
- tert-1-(2,3,6-Trimethylphenyl)buta-1,3-diene
- 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).
- 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° | 310.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 133.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.08 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 3.811 | Crippen Calculated Property | |
| McVol | 161.670 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| I | [1832.00; 1832.00] |
|
|
| I | 1832.00 | NIST | |
| I | 1832.00 | NIST | |
| I | 1832.00 | NIST | |
| Tboil | 539.30 | K | Joback Calculated Property |
| Tc | 752.61 | K | Joback Calculated Property |
| Tfus | 293.41 | K | Joback Calculated Property |
| Vc | 0.617 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.77; 438.09] | J/mol×K | [539.30; 752.61] |
|
| Cp,gas | 356.77 | J/mol×K | 539.30 | Joback Calculated Property |
| Cp,gas | 372.37 | J/mol×K | 574.85 | Joback Calculated Property |
| Cp,gas | 387.09 | J/mol×K | 610.40 | Joback Calculated Property |
| Cp,gas | 400.98 | J/mol×K | 645.96 | Joback Calculated Property |
| Cp,gas | 414.08 | J/mol×K | 681.51 | Joback Calculated Property |
| Cp,gas | 426.43 | J/mol×K | 717.06 | Joback Calculated Property |
| Cp,gas | 438.09 | J/mol×K | 752.61 | Joback Calculated Property |
| η | [0.0001548; 0.0012135] | Pa×s | [293.41; 539.30] |
|
| η | 0.0012135 | Pa×s | 293.41 | Joback Calculated Property |
| η | 0.0006976 | Pa×s | 334.39 | Joback Calculated Property |
| η | 0.0004526 | Pa×s | 375.37 | Joback Calculated Property |
| η | 0.0003197 | Pa×s | 416.36 | Joback Calculated Property |
| η | 0.0002404 | Pa×s | 457.34 | Joback Calculated Property |
| η | 0.0001894 | Pa×s | 498.32 | Joback Calculated Property |
| η | 0.0001548 | Pa×s | 539.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-(2,3,6-trimethylphenyl)buta-1,3-diene (TPB, 1).
Sources
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