- InChI
- InChI=1S/C15H24/c1-6-7-13-8-14(11(2)3)10-15(9-13)12(4)5/h8-12H,6-7H2,1-5H3
- InChI Key
- ITIJRGPJXYLXNV-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- CCCc1cc(C(C)C)cc(C(C)C)c1
- Molecular Weight1
- 204.35
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -149.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.886 | Crippen Calculated Property | |
| McVol | 198.450 | ml/mol | McGowan Calculated Property |
| Pc | 1824.72 | kPa | Joback Calculated Property |
| I | [1513.00; 1552.00] |
|
|
| I | 1539.00 | NIST | |
| I | 1540.00 | NIST | |
| I | 1543.00 | NIST | |
| I | 1549.00 | NIST | |
| I | 1552.00 | NIST | |
| I | 1535.00 | NIST | |
| I | 1513.00 | NIST | |
| I | 1513.00 | NIST | |
| Tboil | 522.82 | K | Relay (1.0) Calculated Property |
| Tc | 727.27 | K | Relay (1.0) Calculated Property |
| Tfus | 223.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, 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 | [270.90; 669.66] | 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 | -1.94180e+01 | |||
| Coefficient B | 1.24280e+00 | |||
| Coefficient C | -6.95720e-04 | |||
| Coefficient D | 1.42000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 270.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 339.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 400.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 455.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 504.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 547.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 584.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 617.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 645.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 669.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033435; 0.0001660] | Pa×s | [280.27; 545.97] |
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 | -1.18711e+01 | |||
| Coefficient B | 1.72938e+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. | 280.27 | |||
| Temperature range, max. | 545.97 | |||
| η | 0.0033435 | Pa×s | 280.27 | Calculated Property |
| η | 0.0018571 | Pa×s | 309.79 | Calculated Property |
| η | 0.0011426 | Pa×s | 339.31 | Calculated Property |
| η | 0.0007599 | Pa×s | 368.84 | Calculated Property |
| η | 0.0005368 | Pa×s | 398.36 | Calculated Property |
| η | 0.0003979 | Pa×s | 427.88 | Calculated Property |
| η | 0.0003065 | Pa×s | 457.40 | Calculated Property |
| η | 0.0002437 | Pa×s | 486.93 | Calculated Property |
| η | 0.0001989 | Pa×s | 516.45 | Calculated Property |
| η | 0.0001660 | Pa×s | 545.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-diisopropyl-5-propyl.
Sources
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