- InChI
- InChI=1S/C11H16/c1-4-10-7-5-6-8-11(10)9(2)3/h5-9H,4H2,1-3H3
- InChI Key
- ZAJYARZMPOEGLK-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCc1ccccc1C(C)C
- Molecular Weight1
- 148.24
- CAS
- 18970-44-0
- Other Names
-
- Benzene, 1-ethyl-2-(1-methylethyl)
- 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).
- 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 | 0.3758 | Relay (1.0) Calculated Property | |
| ΔfG° | 142.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.30 | Relay (1.0) 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 | [1076.90; 1135.00] |
|
|
| Inp | 1098.00 | NIST | |
| Inp | 1079.80 | NIST | |
| Inp | 1079.80 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Inp | 1076.90 | NIST | |
| Inp | 1079.80 | NIST | |
| Inp | 1099.70 | NIST | |
| Inp | 1105.70 | NIST | |
| Inp | 1114.30 | NIST | |
| Inp | 1076.90 | NIST | |
| Inp | 1079.80 | NIST | |
| Inp | 1097.25 | NIST | |
| Inp | Outlier 1135.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1098.00 | NIST | |
| I | [1321.60; 1394.00] |
|
|
| I | 1321.60 | NIST | |
| I | 1383.70 | NIST | |
| I | 1358.00 | NIST | |
| I | 1360.00 | NIST | |
| I | 1372.00 | NIST | |
| I | 1385.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1348.00 | NIST | |
| I | 1322.00 | NIST | |
| I | 1326.00 | NIST | |
| Tboil | 466.32 | K | Relay (1.0) Calculated Property |
| Tc | 673.68 | K | Relay (1.0) Calculated Property |
| Tfus | 226.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.528 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.81; 465.80] | 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 | -2.83990e+01 | |||
| Coefficient B | 9.16360e-01 | |||
| Coefficient C | -5.41960e-04 | |||
| Coefficient D | 1.19800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 277.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 316.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 350.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 380.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 406.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 429.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 449.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 465.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036688; 0.0001976] | Pa×s | [237.67; 483.32] |
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 | -1.13561e+01 | |||
| Coefficient B | 1.36618e+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. | 237.67 | |||
| Temperature range, max. | 483.32 | |||
| η | 0.0036688 | Pa×s | 237.67 | Calculated Property |
| η | 0.0020294 | Pa×s | 264.96 | Calculated Property |
| η | 0.0012538 | Pa×s | 292.26 | Calculated Property |
| η | 0.0008411 | Pa×s | 319.55 | Calculated Property |
| η | 0.0006008 | Pa×s | 346.85 | Calculated Property |
| η | 0.0004507 | Pa×s | 374.14 | Calculated Property |
| η | 0.0003517 | Pa×s | 401.44 | Calculated Property |
| η | 0.0002831 | Pa×s | 428.73 | Calculated Property |
| η | 0.0002340 | Pa×s | 456.02 | Calculated Property |
| η | 0.0001976 | Pa×s | 483.32 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [343.01; 496.99] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42108e+01 | |||
| Coefficient B | -3.79768e+03 | |||
| Coefficient C | -7.02500e+01 | |||
| Temperature range, min. | 343.01 | |||
| Temperature range, max. | 496.99 | |||
| Pvap | 1.33 | kPa | 343.01 | Calculated Property |
| Pvap | 3.03 | kPa | 360.12 | Calculated Property |
| Pvap | 6.29 | kPa | 377.23 | Calculated Property |
| Pvap | 12.09 | kPa | 394.34 | Calculated Property |
| Pvap | 21.77 | kPa | 411.45 | Calculated Property |
| Pvap | 37.03 | kPa | 428.55 | Calculated Property |
| Pvap | 60.03 | kPa | 445.66 | Calculated Property |
| Pvap | 93.30 | kPa | 462.77 | Calculated Property |
| Pvap | 139.75 | kPa | 479.88 | Calculated Property |
| Pvap | 202.67 | kPa | 496.99 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Ethyl-2-isopropylbenzene.
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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