- InChI
- InChI=1S/C12H18/c1-5-9(2)12-7-6-10(3)11(4)8-12/h6-9H,5H2,1-4H3
- InChI Key
- MYVKZLLOEWHIBV-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCC(C)c1ccc(C)c(C)c1
- Molecular Weight1
- 162.28
- Other Names
-
- 1,2-Dimethyl-4-secButylbenzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4207 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -88.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.817 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [1209.00; 1222.00] |
|
|
| Inp | 1210.00 | NIST | |
| Inp | 1222.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1222.00 | NIST | |
| I | [1423.00; 1423.00] |
|
|
| I | 1423.00 | NIST | |
| I | 1423.00 | NIST | |
| I | 1423.00 | NIST | |
| I | 1423.00 | NIST | |
| Tboil | 493.77 | K | Relay (1.0) Calculated Property |
| Tc | 702.89 | K | Relay (1.0) Calculated Property |
| Tfus | 243.41 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.12; 434.56] | J/mol×K | [510.36; 716.51] |
|
| Cp,gas | 347.12 | J/mol×K | 510.36 | Joback Calculated Property |
| Cp,gas | 363.70 | J/mol×K | 544.72 | Joback Calculated Property |
| Cp,gas | 379.44 | J/mol×K | 579.08 | Joback Calculated Property |
| Cp,gas | 394.38 | J/mol×K | 613.44 | Joback Calculated Property |
| Cp,gas | 408.52 | J/mol×K | 647.80 | Joback Calculated Property |
| Cp,gas | 421.91 | J/mol×K | 682.15 | Joback Calculated Property |
| Cp,gas | 434.56 | J/mol×K | 716.51 | Joback Calculated Property |
| η | [0.0001823; 0.0025252] | Pa×s | [261.46; 510.36] |
|
| η | 0.0025252 | Pa×s | 261.46 | Joback Calculated Property |
| η | 0.0012073 | Pa×s | 302.94 | Joback Calculated Property |
| η | 0.0006895 | Pa×s | 344.43 | Joback Calculated Property |
| η | 0.0004441 | Pa×s | 385.91 | Joback Calculated Property |
| η | 0.0003116 | Pa×s | 427.39 | Joback Calculated Property |
| η | 0.0002328 | Pa×s | 468.88 | Joback Calculated Property |
| η | 0.0001823 | Pa×s | 510.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2-dimethyl-4-(1-methylpropyl).
Sources
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