- InChI
- InChI=1S/C16H26/c1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6/h8-12H,1-7H3
- InChI Key
- CHVOYGXBBWPDEU-UHFFFAOYSA-N
- Formula
- C16H26
- SMILES
- Cc1c(C(C)C)cc(C(C)C)cc1C(C)C
- Molecular Weight1
- 218.38
- CAS
- 6319-85-3
- 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).
- 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 | -172.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.365 | Crippen Calculated Property | |
| McVol | 212.540 | ml/mol | McGowan Calculated Property |
| Pc | 1674.16 | kPa | Joback Calculated Property |
| Tboil | 526.85 | K | Relay (1.0) Calculated Property |
| Tc | 739.03 | K | Relay (1.0) Calculated Property |
| Tfus | 312.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.792 | 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 | [547.10; 650.29] | J/mol×K | [605.98; 809.39] | 
|
| Cp,gas | 547.10 | J/mol×K | 605.98 | Joback Calculated Property |
| Cp,gas | 566.72 | J/mol×K | 639.88 | Joback Calculated Property |
| Cp,gas | 585.34 | J/mol×K | 673.78 | Joback Calculated Property |
| Cp,gas | 602.97 | J/mol×K | 707.69 | Joback Calculated Property |
| Cp,gas | 619.65 | J/mol×K | 741.59 | Joback Calculated Property |
| Cp,gas | 635.42 | J/mol×K | 775.49 | Joback Calculated Property |
| Cp,gas | 650.29 | J/mol×K | 809.39 | Joback Calculated Property |
| η | [0.0001166; 0.0030834] | Pa×s | [289.06; 605.98] |
|
| η | 0.0030834 | Pa×s | 289.06 | Joback Calculated Property |
| η | 0.0011718 | Pa×s | 341.88 | Joback Calculated Property |
| η | 0.0005770 | Pa×s | 394.70 | Joback Calculated Property |
| η | 0.0003358 | Pa×s | 447.52 | Joback Calculated Property |
| η | 0.0002191 | Pa×s | 500.34 | Joback Calculated Property |
| η | 0.0001551 | Pa×s | 553.16 | Joback Calculated Property |
| η | 0.0001166 | Pa×s | 605.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Triisopropyl-2-methylbenzene.
Sources
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