- InChI
- InChI=1S/C11H16/c1-4-10-7-6-9(3)8-11(10)5-2/h6-8H,4-5H2,1-3H3
- InChI Key
- MJQJAQGFUBIGIK-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCc1ccc(C)cc1CC
- Molecular Weight1
- 148.24
- CAS
- 13732-80-4
- Other Names
-
- 1,2-Diethyl-4-methylbenzene
- 1-Methyl-3,4-diethylbenzene
- Benzene, 3,4-diethyl-1-methyl
- 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° | 134.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -56.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.68 | kJ/mol | Joback Calculated Property |
| log10WS | -3.55 | Crippen 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 | [1144.00; 1159.00] |
|
|
| Inp | 1154.20 | NIST | |
| Inp | 1153.90 | NIST | |
| Inp | 1154.90 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | Outlier 1144.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1154.20 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1153.00 | NIST | |
| I | [1384.60; 1464.00] |
|
|
| I | 1384.60 | NIST | |
| I | 1420.00 | NIST | |
| I | 1422.00 | NIST | |
| I | 1435.00 | NIST | |
| I | 1453.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1409.00 | NIST | |
| I | 1385.00 | NIST | |
| I | 1385.00 | NIST | |
| I | 1385.00 | NIST | |
| I | 1384.60 | NIST | |
| I | 1420.00 | NIST | |
| I | 1409.00 | NIST | |
| Tboil | 475.00 ± 4.00 | K | NIST |
| Tc | 692.15 | K | Joback Calculated Property |
| Tfus | 265.19 | K | Joback Calculated Property |
| Vc | 0.543 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.47; 382.22] | J/mol×K | [487.72; 692.15] |
|
| Cp,gas | 301.47 | J/mol×K | 487.72 | Joback Calculated Property |
| Cp,gas | 316.73 | J/mol×K | 521.79 | Joback Calculated Property |
| Cp,gas | 331.23 | J/mol×K | 555.86 | Joback Calculated Property |
| Cp,gas | 345.01 | J/mol×K | 589.93 | Joback Calculated Property |
| Cp,gas | 358.09 | J/mol×K | 624.00 | Joback Calculated Property |
| Cp,gas | 370.48 | J/mol×K | 658.08 | Joback Calculated Property |
| Cp,gas | 382.22 | J/mol×K | 692.15 | Joback Calculated Property |
| η | [0.0002015; 0.0018138] | Pa×s | [265.19; 487.72] |
|
| η | 0.0018138 | Pa×s | 265.19 | Joback Calculated Property |
| η | 0.0010046 | Pa×s | 302.28 | Joback Calculated Property |
| η | 0.0006331 | Pa×s | 339.37 | Joback Calculated Property |
| η | 0.0004370 | Pa×s | 376.46 | Joback Calculated Property |
| η | 0.0003223 | Pa×s | 413.54 | Joback Calculated Property |
| η | 0.0002500 | Pa×s | 450.63 | Joback Calculated Property |
| η | 0.0002015 | Pa×s | 487.72 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [352.67; 507.60] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43859e+01 | |||
| Coefficient B | -3.94529e+03 | |||
| Coefficient C | -7.28340e+01 | |||
| Temperature range, min. | 352.67 | |||
| Temperature range, max. | 507.60 | |||
| Pvap | 1.33 | kPa | 352.67 | Calculated Property |
| Pvap | 3.02 | kPa | 369.88 | Calculated Property |
| Pvap | 6.25 | kPa | 387.10 | Calculated Property |
| Pvap | 11.99 | kPa | 404.31 | Calculated Property |
| Pvap | 21.57 | kPa | 421.53 | Calculated Property |
| Pvap | 36.74 | kPa | 438.74 | Calculated Property |
| Pvap | 59.63 | kPa | 455.96 | Calculated Property |
| Pvap | 92.85 | kPa | 473.17 | Calculated Property |
| Pvap | 139.39 | kPa | 490.39 | Calculated Property |
| Pvap | 202.63 | kPa | 507.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2-diethyl-4-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
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