- InChI
- InChI=1S/C11H16/c1-8(2)11-6-9(3)5-10(4)7-11/h5-8H,1-4H3
- InChI Key
- RMKJTYPFCFNTGQ-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- Cc1cc(C)cc(C(C)C)c1
- Molecular Weight1
- 148.24
- CAS
- 4706-90-5
- Other Names
-
- 1,3-Dimethyl-5-(1-methylethyl)-benzene
- 1,3-Dimethyl-5-isopropylbenzene
- 1-Isopropyl-3,5-dimethylbenzene
- 3,5-Dimethylcumene
- 5-Isopropyl-1,3-dimethylbenzene
- 5-Isopropyl-m-xylene
- 5-Isopropyl-meta-xylene
- Cumene, 3,5-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 | 0.4017 | Relay (1.0) Calculated Property | |
| ΔfG° | 132.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -60.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | 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 | [1094.00; 1113.00] |
|
|
| Inp | 1094.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 1108.00 | NIST | |
| Inp | 1113.00 | NIST | |
| Inp | 1105.00 | NIST | |
| I | [1330.80; 1393.00] |
|
|
| I | 1330.80 | NIST | |
| I | 1364.30 | NIST | |
| I | 1377.90 | NIST | |
| I | 1364.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1374.00 | NIST | |
| I | 1385.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1331.00 | NIST | |
| I | 1332.00 | NIST | |
| I | 1330.80 | NIST | |
| Tboil | [468.70; 470.00] | K |
|
| Tboil | 468.70 ± 2.00 | K | NIST |
| Tboil | 470.00 ± 4.00 | K | NIST |
| Tc | 674.18 | K | Relay (1.0) Calculated Property |
| Tfus | 216.00 ± 1.00 | K | NIST |
| Vc | 0.533 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 357.20 | K | 2.30 | 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 | [0.0056590; 0.0001905] | Pa×s | [216.00; 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. | 216.00 | |||
| Temperature range, max. | 487.69 | |||
| η | 0.0056590 | Pa×s | 216.00 | Calculated Property |
| η | 0.0026826 | Pa×s | 246.19 | Calculated Property |
| η | 0.0014969 | Pa×s | 276.37 | Calculated Property |
| η | 0.0009370 | Pa×s | 306.56 | Calculated Property |
| η | 0.0006379 | Pa×s | 336.75 | Calculated Property |
| η | 0.0004626 | Pa×s | 366.94 | Calculated Property |
| η | 0.0003523 | Pa×s | 397.12 | Calculated Property |
| η | 0.0002788 | Pa×s | 427.31 | Calculated Property |
| η | 0.0002276 | Pa×s | 457.50 | Calculated Property |
| η | 0.0001905 | Pa×s | 487.69 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [344.77; 498.36] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42629e+01 | |||
| Coefficient B | -3.82451e+03 | |||
| Coefficient C | -7.11050e+01 | |||
| Temperature range, min. | 344.77 | |||
| Temperature range, max. | 498.36 | |||
| Pvap | 1.33 | kPa | 344.77 | Calculated Property |
| Pvap | 3.03 | kPa | 361.84 | Calculated Property |
| Pvap | 6.28 | kPa | 378.90 | Calculated Property |
| Pvap | 12.06 | kPa | 395.97 | Calculated Property |
| Pvap | 21.71 | kPa | 413.03 | Calculated Property |
| Pvap | 36.95 | kPa | 430.10 | Calculated Property |
| Pvap | 59.91 | kPa | 447.16 | Calculated Property |
| Pvap | 93.17 | kPa | 464.23 | Calculated Property |
| Pvap | 139.65 | kPa | 481.29 | Calculated Property |
| Pvap | 202.66 | kPa | 498.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-dimethyl-5-(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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