- InChI
- InChI=1S/C11H14/c1-5-11-9(3)6-8(2)7-10(11)4/h5-7H,1H2,2-4H3
- InChI Key
- PDELBHCVXBSVPJ-UHFFFAOYSA-N
- Formula
- C11H14
- SMILES
- C=Cc1c(C)cc(C)cc1C
- Molecular Weight1
- 146.23
- Other Names
-
- 1,3,5-Trimethyl-2-vinylbenzene
- 2-Vinylmesitylene
- Benzene, 2-ethenyl-1,3,5-trimethyl-
- Mesitylethylene
- Styrene, 2,4,6-trimethyl-
- Vinylmesitylene
- 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).
- 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 | 0.4147 | Relay (1.0) Calculated Property | |
| ΔfG° | 213.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 83.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | NIST |
| log10WS | -3.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.255 | Crippen Calculated Property | |
| McVol | 137.790 | ml/mol | McGowan Calculated Property |
| Pc | 2640.67 | kPa | Joback Calculated Property |
| Tboil | [477.00; 482.20] | K |
|
| Tboil | 482.20 | K | NIST |
| Tboil | 477.00 ± 5.00 | K | NIST |
| Tc | 691.79 | K | Relay (1.0) Calculated Property |
| Tfus | [236.15; 236.15] | K |
|
| Tfus | 236.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 236.15 ± 0.50 | K | NIST |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 50.90 | kJ/mol | 422.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.42; 430.67] | 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 | -1.11000e+00 | |||
| Coefficient B | 7.71460e-01 | |||
| Coefficient C | -4.27580e-04 | |||
| Coefficient D | 8.79000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 179.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 222.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 260.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 294.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 325.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 352.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 376.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 396.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 415.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 430.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024892; 0.0001952] | Pa×s | [236.15; 489.88] |
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 | -1.09108e+01 | |||
| Coefficient B | 1.16068e+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. | 236.15 | |||
| Temperature range, max. | 489.88 | |||
| η | 0.0024892 | Pa×s | 236.15 | Calculated Property |
| η | 0.0014737 | Pa×s | 264.34 | Calculated Property |
| η | 0.0009652 | Pa×s | 292.53 | Calculated Property |
| η | 0.0006810 | Pa×s | 320.73 | Calculated Property |
| η | 0.0005084 | Pa×s | 348.92 | Calculated Property |
| η | 0.0003964 | Pa×s | 377.11 | Calculated Property |
| η | 0.0003200 | Pa×s | 405.30 | Calculated Property |
| η | 0.0002657 | Pa×s | 433.50 | Calculated Property |
| η | 0.0002256 | Pa×s | 461.69 | Calculated Property |
| η | 0.0001952 | Pa×s | 489.88 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.84; 99.30] | kPa | [363.10; 481.10] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44166e+01 | |||
| Coefficient B | -4.00914e+03 | |||
| Coefficient C | -7.27710e+01 | |||
| Reference | Buck, Coles, et al., 1949, 3 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 363.10 | |||
| Temperature range, max. | 481.10 | |||
| Pvap | 1.84 | kPa | 363.10 | Calculated Property |
| Pvap | 3.33 | kPa | 376.21 | Calculated Property |
| Pvap | 5.76 | kPa | 389.32 | Calculated Property |
| Pvap | 9.54 | kPa | 402.43 | Calculated Property |
| Pvap | 15.19 | kPa | 415.54 | Calculated Property |
| Pvap | 23.37 | kPa | 428.66 | Calculated Property |
| Pvap | 34.87 | kPa | 441.77 | Calculated Property |
| Pvap | 50.62 | kPa | 454.88 | Calculated Property |
| Pvap | 71.70 | kPa | 467.99 | Calculated Property |
| Pvap | 99.30 | kPa | 481.10 | Calculated Property |
| Pvap | [1.84; 99.30] | kPa | [363.10; 481.10] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44166e+01 | |||
| Coefficient B | -4.00914e+03 | |||
| Coefficient C | -7.27710e+01 | |||
| Reference | Buck, Coles, et al., 1949 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 363.10 | |||
| Temperature range, max. | 481.10 | |||
| Pvap | 1.84 | kPa | 363.10 | Calculated Property |
| Pvap | 3.33 | kPa | 376.21 | Calculated Property |
| Pvap | 5.76 | kPa | 389.32 | Calculated Property |
| Pvap | 9.54 | kPa | 402.43 | Calculated Property |
| Pvap | 15.19 | kPa | 415.54 | Calculated Property |
| Pvap | 23.37 | kPa | 428.66 | Calculated Property |
| Pvap | 34.87 | kPa | 441.77 | Calculated Property |
| Pvap | 50.62 | kPa | 454.88 | Calculated Property |
| Pvap | 71.70 | kPa | 467.99 | Calculated Property |
| Pvap | 99.30 | kPa | 481.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trimethylstyrene.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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