- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.24; 594.06] | J/mol×K | [578.56; 779.96] |
|
| Cp,gas | 494.24 | J/mol×K | 578.56 | Joback Calculated Property |
| Cp,gas | 513.22 | J/mol×K | 612.13 | Joback Calculated Property |
| Cp,gas | 531.22 | J/mol×K | 645.69 | Joback Calculated Property |
| Cp,gas | 548.27 | J/mol×K | 679.26 | Joback Calculated Property |
| Cp,gas | 564.40 | J/mol×K | 712.82 | Joback Calculated Property |
| Cp,gas | 579.66 | J/mol×K | 746.39 | Joback Calculated Property |
| Cp,gas | 594.06 | J/mol×K | 779.96 | Joback Calculated Property |
| η | [0.0001389; 0.0033435] | Pa×s | [280.27; 578.56] |
|
| η | 0.0033435 | Pa×s | 280.27 | Joback Calculated Property |
| η | 0.0013197 | Pa×s | 329.98 | Joback Calculated Property |
| η | 0.0006645 | Pa×s | 379.70 | Joback Calculated Property |
| η | 0.0003922 | Pa×s | 429.41 | Joback Calculated Property |
| η | 0.0002582 | Pa×s | 479.13 | Joback Calculated Property |
| η | 0.0001839 | Pa×s | 528.85 | Joback Calculated Property |
| η | 0.0001389 | Pa×s | 578.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-diisopropyl-5-propyl.
Sources
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