- InChI
- InChI=1S/C11H16/c1-4-10-7-6-9(3)11(5-2)8-10/h6-8H,4-5H2,1-3H3
- InChI Key
- PZMJNJDRDKPVLB-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCc1ccc(C)c(CC)c1
- Molecular Weight1
- 148.25
- Other Names
-
- 1-Methyl-2,4-di-Ethylbenzene
- Benzene, 1,3-diethyl-4-methyl
- Benzene, 2,4-diethyl-1-methyl-
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.4307 | Relay (1.0) Calculated Property | |
| ΔfG° | 134.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -44.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.120 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | [1148.70; 1176.00] |
|
|
| Inp | 1149.10 | NIST | |
| Inp | 1148.70 | NIST | |
| Inp | 1149.60 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | Outlier 1176.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Ip | [1393.00; 1480.00] |
|
|
| Ip | 1393.10 | NIST | |
| Ip | 1440.00 | NIST | |
| Ip | 1441.00 | NIST | |
| Ip | 1455.00 | NIST | |
| Ip | 1468.00 | NIST | |
| Ip | 1480.00 | NIST | |
| Ip | 1428.00 | NIST | |
| Ip | 1393.00 | NIST | |
| Ip | 1393.00 | NIST | |
| Ip | 1393.10 | NIST | |
| Tboil | 479.11 | K | Relay (1.0) Calculated Property |
| Tc | 678.90 | K | Relay (1.0) Calculated Property |
| Tfus | 228.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.541 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.68; 462.22] | 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 | -1.24180e+01 | |||
| Coefficient B | 8.50960e-01 | |||
| Coefficient C | -4.71720e-04 | |||
| Coefficient D | 9.54000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 186.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 276.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 313.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 347.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 377.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 403.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 425.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 445.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 462.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018138; 0.0002048] | Pa×s | [265.19; 484.70] |
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 | -1.11281e+01 | |||
| Coefficient B | 1.27710e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 265.19 | |||
| Temperature range, max. | 484.70 | |||
| η | 0.0018138 | Pa×s | 265.19 | Calculated Property |
| η | 0.0012090 | Pa×s | 289.58 | Calculated Property |
| η | 0.0008583 | Pa×s | 313.97 | Calculated Property |
| η | 0.0006402 | Pa×s | 338.36 | Calculated Property |
| η | 0.0004967 | Pa×s | 362.75 | Calculated Property |
| η | 0.0003979 | Pa×s | 387.14 | Calculated Property |
| η | 0.0003272 | Pa×s | 411.53 | Calculated Property |
| η | 0.0002751 | Pa×s | 435.92 | Calculated Property |
| η | 0.0002355 | Pa×s | 460.31 | Calculated Property |
| η | 0.0002048 | Pa×s | 484.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Diethyl-4-methylbenzene.
Sources
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