- InChI
- InChI=1S/C15H24/c1-5-7-13-9-14(8-6-2)11-15(10-13)12(3)4/h9-12H,5-8H2,1-4H3
- InChI Key
- PBFVIHCLUVKHFV-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- CCCc1cc(CCC)cc(C(C)C)c1
- Molecular Weight1
- 204.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 24.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.715 | Crippen Calculated Property | |
| McVol | 198.450 | ml/mol | McGowan Calculated Property |
| Ip | [1563.60; 1564.00] |
|
|
| Ip | 1563.60 | NIST | |
| Ip | 1564.00 | NIST | |
| Ip | 1564.00 | NIST | |
| Tboil | 531.26 | K | Relay (1.0) Calculated Property |
| Tfus | 225.29 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [271.22; 669.12] | 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 | -1.77360e+01 | |||
| Coefficient B | 1.23688e+00 | |||
| Coefficient C | -6.92520e-04 | |||
| Coefficient D | 1.42500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 271.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 339.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 400.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 455.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 503.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 546.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 583.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 616.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 644.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 669.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024583; 0.0001796] | Pa×s | [295.27; 543.49] |
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 | -1.17371e+01 | |||
| Coefficient B | 1.69156e+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. | 295.27 | |||
| Temperature range, max. | 543.49 | |||
| η | 0.0024583 | Pa×s | 295.27 | Calculated Property |
| η | 0.0015069 | Pa×s | 322.85 | Calculated Property |
| η | 0.0009977 | Pa×s | 350.43 | Calculated Property |
| η | 0.0007015 | Pa×s | 378.01 | Calculated Property |
| η | 0.0005175 | Pa×s | 405.59 | Calculated Property |
| η | 0.0003968 | Pa×s | 433.17 | Calculated Property |
| η | 0.0003141 | Pa×s | 460.75 | Calculated Property |
| η | 0.0002553 | Pa×s | 488.33 | Calculated Property |
| η | 0.0002121 | Pa×s | 515.91 | Calculated Property |
| η | 0.0001796 | Pa×s | 543.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-isopropyl-3,5-dipropyl.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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