- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.35; 672.70] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.37170e+01 | |||
| Coefficient B | 1.30228e+00 | |||
| Coefficient C | -7.62760e-04 | |||
| Coefficient D | 1.66900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 268.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 338.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 401.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 457.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 506.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 550.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 587.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 620.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 648.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 672.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049185; 0.0001702] | Pa×s | [267.75; 541.79] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.19651e+01 | |||
| Coefficient B | 1.78064e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 267.75 | |||
| Temperature range, max. | 541.79 | |||
| η | 0.0049185 | Pa×s | 267.75 | Calculated Property |
| η | 0.0024941 | Pa×s | 298.20 | Calculated Property |
| η | 0.0014343 | Pa×s | 328.65 | Calculated Property |
| η | 0.0009060 | Pa×s | 359.10 | Calculated Property |
| η | 0.0006149 | Pa×s | 389.55 | Calculated Property |
| η | 0.0004414 | Pa×s | 420.00 | Calculated Property |
| η | 0.0003314 | Pa×s | 450.44 | Calculated Property |
| η | 0.0002581 | Pa×s | 480.89 | Calculated Property |
| η | 0.0002070 | Pa×s | 511.34 | Calculated Property |
| η | 0.0001702 | Pa×s | 541.79 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-sec-butyl-4-isobutyl.
Sources
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