- InChI
- InChI=1S/C13H20/c1-5-6-12-7-11(4)8-13(9-12)10(2)3/h7-10H,5-6H2,1-4H3
- InChI Key
- HPMXLFXGBONERG-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CCCc1cc(C)cc(C(C)C)c1
- Molecular Weight1
- 176.30
- 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 | 0.4756 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -95.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.071 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2149.31 | kPa | Joback Calculated Property |
| I | 1512.60 | NIST | |
| Tboil | 503.23 | K | Relay (1.0) Calculated Property |
| Tc | 703.91 | K | Relay (1.0) Calculated Property |
| Tfus | 208.29 | 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 | [394.34; 485.85] | J/mol×K | [533.24; 736.37] | 
|
| Cp,gas | 394.34 | J/mol×K | 533.24 | Joback Calculated Property |
| Cp,gas | 411.69 | J/mol×K | 567.09 | Joback Calculated Property |
| Cp,gas | 428.16 | J/mol×K | 600.95 | Joback Calculated Property |
| Cp,gas | 443.79 | J/mol×K | 634.80 | Joback Calculated Property |
| Cp,gas | 458.59 | J/mol×K | 668.66 | Joback Calculated Property |
| Cp,gas | 472.60 | J/mol×K | 702.51 | Joback Calculated Property |
| Cp,gas | 485.85 | J/mol×K | 736.37 | Joback Calculated Property |
| η | [0.0001720; 0.0025416] | Pa×s | [272.73; 533.24] |
|
| η | 0.0025416 | Pa×s | 272.73 | Joback Calculated Property |
| η | 0.0011922 | Pa×s | 316.15 | Joback Calculated Property |
| η | 0.0006714 | Pa×s | 359.57 | Joback Calculated Property |
| η | 0.0004279 | Pa×s | 402.99 | Joback Calculated Property |
| η | 0.0002977 | Pa×s | 446.40 | Joback Calculated Property |
| η | 0.0002209 | Pa×s | 489.82 | Joback Calculated Property |
| η | 0.0001720 | Pa×s | 533.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Diisopropyl-5-n-Propylbenzene.
Sources
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