- InChI
- InChI=1S/C13H20/c1-6-11-7-10(2)8-12(9-11)13(3,4)5/h7-9H,6H2,1-5H3
- InChI Key
- URDKTSKLGNWKDB-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CCc1cc(C)cc(C(C)(C)C)c1
- Molecular Weight1
- 176.30
- Other Names
-
- 1-tert-Butyl-3-ethyl-5-methylbenzene
- 3-tert-Butyl-5-ethyltoluene
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 | 0.4273 | Relay (1.0) Calculated Property | |
| ΔfG° | 154.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -102.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.855 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2171.40 | kPa | Joback Calculated Property |
| Inp | [1238.30; 1238.30] |
|
|
| Inp | 1238.30 | NIST | |
| Inp | 1238.30 | NIST | |
| Tboil | 494.10 ± 0.40 | K | NIST |
| Tc | 697.99 | K | Relay (1.0) Calculated Property |
| Tfus | 234.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.637 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.06; 490.84] | J/mol×K | [530.45; 741.77] |
|
| Cp,gas | 397.06 | J/mol×K | 530.45 | Joback Calculated Property |
| Cp,gas | 415.18 | J/mol×K | 565.67 | Joback Calculated Property |
| Cp,gas | 432.23 | J/mol×K | 600.89 | Joback Calculated Property |
| Cp,gas | 448.28 | J/mol×K | 636.11 | Joback Calculated Property |
| Cp,gas | 463.36 | J/mol×K | 671.33 | Joback Calculated Property |
| Cp,gas | 477.53 | J/mol×K | 706.55 | Joback Calculated Property |
| Cp,gas | 490.84 | J/mol×K | 741.77 | Joback Calculated Property |
| η | [0.0001715; 0.0024609] | Pa×s | [290.15; 530.45] |
|
| η | 0.0024609 | Pa×s | 290.15 | Joback Calculated Property |
| η | 0.0012061 | Pa×s | 330.20 | Joback Calculated Property |
| η | 0.0006897 | Pa×s | 370.25 | Joback Calculated Property |
| η | 0.0004399 | Pa×s | 410.30 | Joback Calculated Property |
| η | 0.0003039 | Pa×s | 450.35 | Joback Calculated Property |
| η | 0.0002231 | Pa×s | 490.40 | Joback Calculated Property |
| η | 0.0001715 | Pa×s | 530.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-(1,1-dimethylethyl)-3-ethyl-5-methyl-.
Sources
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