- InChI
- InChI=1S/C12H18/c1-8(2)12-7-10(4)9(3)6-11(12)5/h6-8H,1-5H3
- InChI Key
- POOXAYBPGIHSME-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- Cc1cc(C)c(C(C)C)cc1C
- Molecular Weight1
- 162.27
- CAS
- 10222-95-4
- Other Names
-
- 1,2,4-Trimethyl-5-isopropylbenzene
- 1-Isopropyl-2,4,5-trimethylbenzene
- 2,4,5-Trimethylcumene
- 5-Isopropyl-1,2,4-trimethylbenzene
- 5-Isopropylpseudocumene
- Benzene, 1,2,4-trimethyl-5-isopropyl
- Cumene, 2,4,5-trimethyl-
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 131.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -103.30 | kJ/mol | NIST |
| ΔfusH° | 16.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [64.85; 64.90] | kJ/mol |
|
| ΔvapH° | 64.85 | kJ/mol | NIST |
| ΔvapH° | 64.90 | kJ/mol | NIST |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 3.735 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Inp | [1233.00; 1234.00] |
|
|
| Inp | 1233.00 | NIST | |
| Inp | 1233.00 | NIST | |
| Inp | 1234.00 | NIST | |
| I | [1476.60; 1477.00] |
|
|
| I | 1476.60 | NIST | |
| I | 1477.00 | NIST | |
| I | 1477.00 | NIST | |
| Tboil | 515.14 | K | Joback Calculated Property |
| Tc | 722.37 | K | Joback Calculated Property |
| Tfus | 273.98 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.52; 433.58] | J/mol×K | [515.14; 722.37] |
|
| Cp,gas | 347.52 | J/mol×K | 515.14 | Joback Calculated Property |
| Cp,gas | 363.75 | J/mol×K | 549.68 | Joback Calculated Property |
| Cp,gas | 379.20 | J/mol×K | 584.22 | Joback Calculated Property |
| Cp,gas | 393.88 | J/mol×K | 618.76 | Joback Calculated Property |
| Cp,gas | 407.83 | J/mol×K | 653.30 | Joback Calculated Property |
| Cp,gas | 421.05 | J/mol×K | 687.83 | Joback Calculated Property |
| Cp,gas | 433.58 | J/mol×K | 722.37 | Joback Calculated Property |
| η | [0.0001767; 0.0017985] | Pa×s | [273.98; 515.14] |
|
| η | 0.0017985 | Pa×s | 273.98 | Joback Calculated Property |
| η | 0.0009540 | Pa×s | 314.17 | Joback Calculated Property |
| η | 0.0005843 | Pa×s | 354.37 | Joback Calculated Property |
| η | 0.0003955 | Pa×s | 394.56 | Joback Calculated Property |
| η | 0.0002877 | Pa×s | 434.75 | Joback Calculated Property |
| η | 0.0002209 | Pa×s | 474.95 | Joback Calculated Property |
| η | 0.0001767 | Pa×s | 515.14 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [369.82; 524.62] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47649e+01 | |||
| Coefficient B | -4.21719e+03 | |||
| Coefficient C | -7.85240e+01 | |||
| Temperature range, min. | 369.82 | |||
| Temperature range, max. | 524.62 | |||
| Pvap | 1.33 | kPa | 369.82 | Calculated Property |
| Pvap | 2.99 | kPa | 387.02 | Calculated Property |
| Pvap | 6.15 | kPa | 404.22 | Calculated Property |
| Pvap | 11.78 | kPa | 421.42 | Calculated Property |
| Pvap | 21.19 | kPa | 438.62 | Calculated Property |
| Pvap | 36.14 | kPa | 455.82 | Calculated Property |
| Pvap | 58.84 | kPa | 473.02 | Calculated Property |
| Pvap | 91.97 | kPa | 490.22 | Calculated Property |
| Pvap | 138.69 | kPa | 507.42 | Calculated Property |
| Pvap | 202.63 | kPa | 524.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,4-trimethyl-5-(1-methylethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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