- InChI
- InChI=1S/C15H24/c1-5-13(4)15-10-8-14(9-11-15)7-6-12(2)3/h8-13H,5-7H2,1-4H3
- InChI Key
- PDOUOUPXZUDSOM-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- CCC(C)c1ccc(CCC(C)C)cc1
- Molecular Weight1
- 204.36
- 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).
- 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 | 0.5152 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -151.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.789 | Crippen Calculated Property | |
| McVol | 198.450 | ml/mol | McGowan Calculated Property |
| Pc | 1848.33 | kPa | Joback Calculated Property |
| I | [1494.00; 1494.00] |
|
|
| I | 1494.00 | NIST | |
| I | 1494.00 | NIST | |
| Tboil | 540.54 | K | Relay (1.0) Calculated Property |
| Tc | 733.95 | K | Relay (1.0) Calculated Property |
| Tfus | 235.89 | 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 | [493.80; 594.68] | J/mol×K | [573.58; 773.99] |
|
| Cp,gas | 493.80 | J/mol×K | 573.58 | Joback Calculated Property |
| Cp,gas | 513.05 | J/mol×K | 606.98 | Joback Calculated Property |
| Cp,gas | 531.27 | J/mol×K | 640.38 | Joback Calculated Property |
| Cp,gas | 548.51 | J/mol×K | 673.78 | Joback Calculated Property |
| Cp,gas | 564.80 | J/mol×K | 707.19 | Joback Calculated Property |
| Cp,gas | 580.18 | J/mol×K | 740.59 | Joback Calculated Property |
| Cp,gas | 594.68 | J/mol×K | 773.99 | Joback Calculated Property |
| η | [0.0001419; 0.0049185] | Pa×s | [267.75; 573.58] |
|
| η | 0.0049185 | Pa×s | 267.75 | Joback Calculated Property |
| η | 0.0016980 | Pa×s | 318.72 | Joback Calculated Property |
| η | 0.0007860 | Pa×s | 369.69 | Joback Calculated Property |
| η | 0.0004385 | Pa×s | 420.66 | Joback Calculated Property |
| η | 0.0002775 | Pa×s | 471.64 | Joback Calculated Property |
| η | 0.0001920 | Pa×s | 522.61 | Joback Calculated Property |
| η | 0.0001419 | Pa×s | 573.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-sec-butyl-4-isobutyl.
Sources
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