- InChI
- InChI=1S/C11H16/c1-4-10-6-5-7-11(8-10)9(2)3/h5-9H,4H2,1-3H3
- InChI Key
- GSLSBTNLESMZTN-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCc1cccc(C(C)C)c1
- Molecular Weight1
- 148.24
- CAS
- 4920-99-4
- Other Names
-
- 1-Ethyl-3-isopropylbenzene
- Cumene, m-ethyl-
- m-Ethylcumene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 142.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 3.372 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2629.85 | kPa | Joback Calculated Property |
| Inp | [1074.30; 1125.00] |
|
|
| Inp | 1092.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1074.30 | NIST | |
| Inp | 1076.50 | NIST | |
| Inp | 1093.90 | NIST | |
| Inp | 1098.40 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1074.30 | NIST | |
| Inp | 1074.70 | NIST | |
| Inp | 1074.30 | NIST | |
| Inp | 1076.50 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | Outlier 1125.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1099.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1076.50 | NIST | |
| Inp | 1074.70 | NIST | |
| I | [1305.20; 1371.00] |
|
|
| I | 1305.20 | NIST | |
| I | 1339.00 | NIST | |
| I | 1340.00 | NIST | |
| I | 1349.00 | NIST | |
| I | 1360.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1331.00 | NIST | |
| I | 1305.20 | NIST | |
| Tboil | [464.00; 464.00] | K |
|
| Tboil | 464.00 ± 6.00 | K | NIST |
| Tboil | 464.00 ± 6.00 | K | NIST |
| Tc | 690.17 | K | Joback Calculated Property |
| Tfus | 237.67 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.93; 385.28] | J/mol×K | [482.30; 690.17] |
|
| Cp,gas | 300.93 | J/mol×K | 482.30 | Joback Calculated Property |
| Cp,gas | 317.03 | J/mol×K | 516.94 | Joback Calculated Property |
| Cp,gas | 332.27 | J/mol×K | 551.59 | Joback Calculated Property |
| Cp,gas | 346.68 | J/mol×K | 586.23 | Joback Calculated Property |
| Cp,gas | 360.30 | J/mol×K | 620.88 | Joback Calculated Property |
| Cp,gas | 373.16 | J/mol×K | 655.52 | Joback Calculated Property |
| Cp,gas | 385.28 | J/mol×K | 690.17 | Joback Calculated Property |
| η | [0.0001987; 0.0036688] | Pa×s | [237.67; 482.30] |
|
| η | 0.0036688 | Pa×s | 237.67 | Joback Calculated Property |
| η | 0.0015812 | Pa×s | 278.44 | Joback Calculated Property |
| η | 0.0008449 | Pa×s | 319.21 | Joback Calculated Property |
| η | 0.0005204 | Pa×s | 359.99 | Joback Calculated Property |
| η | 0.0003537 | Pa×s | 400.76 | Joback Calculated Property |
| η | 0.0002582 | Pa×s | 441.53 | Joback Calculated Property |
| η | 0.0001987 | Pa×s | 482.30 | Joback Calculated Property |
| ΔvapH | 48.80 | kJ/mol | 383.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [343.07; 495.63] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42828e+01 | |||
| Coefficient B | -3.81285e+03 | |||
| Coefficient C | -7.06300e+01 | |||
| Temperature range, min. | 343.07 | |||
| Temperature range, max. | 495.63 | |||
| Pvap | 1.33 | kPa | 343.07 | Calculated Property |
| Pvap | 3.03 | kPa | 360.02 | Calculated Property |
| Pvap | 6.27 | kPa | 376.97 | Calculated Property |
| Pvap | 12.05 | kPa | 393.92 | Calculated Property |
| Pvap | 21.69 | kPa | 410.87 | Calculated Property |
| Pvap | 36.91 | kPa | 427.83 | Calculated Property |
| Pvap | 59.86 | kPa | 444.78 | Calculated Property |
| Pvap | 93.11 | kPa | 461.73 | Calculated Property |
| Pvap | 139.60 | kPa | 478.68 | Calculated Property |
| Pvap | 202.64 | kPa | 495.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethyl-3-(1-methylethyl)-.
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
property mean.