- InChI
- InChI=1S/C11H16/c1-8(2)11-6-5-9(3)7-10(11)4/h5-8H,1-4H3
- InChI Key
- AADQFNAACHHRLT-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- Cc1ccc(C(C)C)c(C)c1
- Molecular Weight1
- 148.24
- CAS
- 4706-89-2
- Other Names
-
- 1,3-Dimethyl-4-isopropylbenzene
- 1-Isopropyl-2,4-dimethylbenzene
- 4-Isopropyl-1,3-dimethylbenzene
- 4-Isopropyl-m-xylene
- Benzene, 1,3-dimethyl-4-(1-methylethyl)
- Benzene, 1,3-dimethyl-4-isopropyl
- Cumene, 2,4-dimethyl-
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3912 | Relay (1.0) Calculated Property | |
| ΔfG° | 132.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -55.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.427 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2589.85 | kPa | Joback Calculated Property |
| Inp | [1123.00; 1124.00] |
|
|
| Inp | 1124.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1124.00 | NIST | |
| I | [1364.00; 1441.00] |
|
|
| I | 1400.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1416.00 | NIST | |
| I | 1428.00 | NIST | |
| I | 1441.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1400.00 | NIST | |
| Tboil | [468.00; 472.00] | K |
|
| Tboil | 472.00 ± 5.00 | K | NIST |
| Tboil | 468.00 ± 6.00 | K | NIST |
| Tc | 675.93 | K | Relay (1.0) Calculated Property |
| Tfus | 268.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.530 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 350.20 | K | 1.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.36; 462.76] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.41000e+01 | |||
| Coefficient B | 8.56880e-01 | |||
| Coefficient C | -4.74920e-04 | |||
| Coefficient D | 9.49000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 186.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 276.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 314.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 348.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 377.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 403.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 426.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 445.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 462.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024629; 0.0001905] | Pa×s | [250.19; 487.69] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.12621e+01 | |||
| Coefficient B | 1.31492e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 250.19 | |||
| Temperature range, max. | 487.69 | |||
| η | 0.0024629 | Pa×s | 250.19 | Calculated Property |
| η | 0.0014917 | Pa×s | 276.58 | Calculated Property |
| η | 0.0009859 | Pa×s | 302.97 | Calculated Property |
| η | 0.0006963 | Pa×s | 329.36 | Calculated Property |
| η | 0.0005178 | Pa×s | 355.74 | Calculated Property |
| η | 0.0004012 | Pa×s | 382.13 | Calculated Property |
| η | 0.0003212 | Pa×s | 408.52 | Calculated Property |
| η | 0.0002642 | Pa×s | 434.91 | Calculated Property |
| η | 0.0002223 | Pa×s | 461.30 | Calculated Property |
| η | 0.0001905 | Pa×s | 487.69 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [348.19; 503.25] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42601e+01 | |||
| Coefficient B | -3.85933e+03 | |||
| Coefficient C | -7.19790e+01 | |||
| Temperature range, min. | 348.19 | |||
| Temperature range, max. | 503.25 | |||
| Pvap | 1.33 | kPa | 348.19 | Calculated Property |
| Pvap | 3.03 | kPa | 365.42 | Calculated Property |
| Pvap | 6.28 | kPa | 382.65 | Calculated Property |
| Pvap | 12.06 | kPa | 399.88 | Calculated Property |
| Pvap | 21.71 | kPa | 417.11 | Calculated Property |
| Pvap | 36.95 | kPa | 434.33 | Calculated Property |
| Pvap | 59.91 | kPa | 451.56 | Calculated Property |
| Pvap | 93.16 | kPa | 468.79 | Calculated Property |
| Pvap | 139.63 | kPa | 486.02 | Calculated Property |
| Pvap | 202.63 | kPa | 503.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2,4-dimethyl-1-(1-methylethyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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