- InChI
- InChI=1S/C11H16/c1-5-11-7-9(3)8(2)6-10(11)4/h6-7H,5H2,1-4H3
- InChI Key
- IYFUQKGDILUVJG-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCc1cc(C)c(C)cc1C
- Molecular Weight1
- 148.25
- Other Names
-
- 1,2,4-Trimethyl,5-Ethylbenzene
- 1-Ethyl-2,4,5-trimethylbenzene
- 5-Ethyl-1,2,4-trimethylbenzene
- Benzene, 1,2,4-trimethyl-5-ethyl
- Benzene, 5-ethyl-1,2,4-trimethyl
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.4335 | Relay (1.0) Calculated Property | |
| ΔfG° | 125.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -55.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.174 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2530.27 | kPa | Joback Calculated Property |
| Inp | [1173.00; 1173.00] |
|
|
| Inp | 1173.00 | NIST | |
| Inp | 1173.00 | NIST | |
| I | [1390.80; 1391.00] |
|
|
| I | 1390.80 | NIST | |
| I | 1391.00 | NIST | |
| I | 1391.00 | NIST | |
| I | 1391.00 | NIST | |
| Tboil | [484.00; 484.00] | K |
|
| Tboil | 484.00 ± 5.00 | K | NIST |
| Tboil | 484.00 ± 5.00 | K | NIST |
| Tc | 687.88 | K | Relay (1.0) Calculated Property |
| Tfus | [259.40; 260.15] | K |
|
| Tfus | 259.40 ± 1.50 | K | NIST |
| Tfus | 260.15 ± 0.50 | K | NIST |
| Tfus | 259.57 ± 0.20 | K | NIST |
| Vc | 0.540 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 56.40 | kJ/mol | 399.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.23; 459.18] | 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 | 1.88100e+00 | |||
| Coefficient B | 7.91480e-01 | |||
| Coefficient C | -4.04680e-04 | |||
| Coefficient D | 7.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 189.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 311.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 344.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 374.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 399.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 422.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 442.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 459.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018108; 0.0001979] | Pa×s | [259.71; 489.05] |
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 | -1.10341e+01 | |||
| Coefficient B | 1.22584e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 259.71 | |||
| Temperature range, max. | 489.05 | |||
| η | 0.0018108 | Pa×s | 259.71 | Calculated Property |
| η | 0.0011877 | Pa×s | 285.19 | Calculated Property |
| η | 0.0008348 | Pa×s | 310.67 | Calculated Property |
| η | 0.0006190 | Pa×s | 336.15 | Calculated Property |
| η | 0.0004787 | Pa×s | 361.64 | Calculated Property |
| η | 0.0003830 | Pa×s | 387.12 | Calculated Property |
| η | 0.0003150 | Pa×s | 412.60 | Calculated Property |
| η | 0.0002650 | Pa×s | 438.08 | Calculated Property |
| η | 0.0002272 | Pa×s | 463.56 | Calculated Property |
| η | 0.0001979 | Pa×s | 489.05 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.12; 93.94] | kPa | [316.90; 481.30] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.26315e+01 | |||
| Coefficient B | -2.93787e+03 | |||
| Coefficient C | -1.18101e+02 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 316.90 | |||
| Temperature range, max. | 481.30 | |||
| Pvap | 0.12 | kPa | 316.90 | Calculated Property |
| Pvap | 0.41 | kPa | 335.17 | Calculated Property |
| Pvap | 1.16 | kPa | 353.43 | Calculated Property |
| Pvap | 2.85 | kPa | 371.70 | Calculated Property |
| Pvap | 6.20 | kPa | 389.97 | Calculated Property |
| Pvap | 12.25 | kPa | 408.23 | Calculated Property |
| Pvap | 22.32 | kPa | 426.50 | Calculated Property |
| Pvap | 38.02 | kPa | 444.77 | Calculated Property |
| Pvap | 61.21 | kPa | 463.03 | Calculated Property |
| Pvap | 93.94 | kPa | 481.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethyl-2,4,5-trimethyl-.
Sources
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