- InChI
- InChI=1S/C12H18/c1-8(2)12-7-9(3)6-10(4)11(12)5/h6-8H,1-5H3
- InChI Key
- TZKXCJCWPNIXDP-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- Cc1cc(C)c(C)c(C(C)C)c1
- Molecular Weight1
- 162.27
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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 |
|---|---|---|---|
| ω | 0.4242 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -79.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.735 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| I | [1487.00; 1487.30] |
|
|
| I | 1487.30 | NIST | |
| I | 1487.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1487.00 | NIST | |
| Tboil | 491.20 | K | Relay (1.0) Calculated Property |
| Tc | 698.37 | K | Relay (1.0) Calculated Property |
| Tfus | 275.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.62; 433.68] | J/mol×K | [515.34; 722.65] |
|
| Cp,gas | 347.62 | J/mol×K | 515.34 | Joback Calculated Property |
| Cp,gas | 363.85 | J/mol×K | 549.89 | Joback Calculated Property |
| Cp,gas | 379.29 | J/mol×K | 584.44 | Joback Calculated Property |
| Cp,gas | 393.98 | J/mol×K | 619.00 | Joback Calculated Property |
| Cp,gas | 407.93 | J/mol×K | 653.55 | Joback Calculated Property |
| Cp,gas | 421.15 | J/mol×K | 688.10 | Joback Calculated Property |
| Cp,gas | 433.68 | J/mol×K | 722.65 | Joback Calculated Property |
| η | [0.0001766; 0.0017985] | Pa×s | [273.98; 515.34] |
|
| η | 0.0017985 | Pa×s | 273.98 | Joback Calculated Property |
| η | 0.0009536 | Pa×s | 314.21 | Joback Calculated Property |
| η | 0.0005839 | Pa×s | 354.43 | Joback Calculated Property |
| η | 0.0003952 | Pa×s | 394.66 | Joback Calculated Property |
| η | 0.0002874 | Pa×s | 434.89 | Joback Calculated Property |
| η | 0.0002207 | Pa×s | 475.11 | Joback Calculated Property |
| η | 0.0001766 | Pa×s | 515.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,5-Trimethyl-3-isopropylbenzene.
Sources
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