- InChI
- InChI=1S/C10H12/c1-4-10-8(2)6-5-7-9(10)3/h4-7H,1H2,2-3H3
- InChI Key
- OWRKXOZFTROHSH-UHFFFAOYSA-N
- Formula
- C10H12
- SMILES
- C=Cc1c(C)cccc1C
- Molecular Weight1
- 132.20
- CAS
- 2039-90-9
- Other Names
-
- 1,3-Dimethyl-2-ethenylbenzene
- 1,3-Dimethyl-2-vinylbenzene
- 2,6-Dimethylstyrene
- Styrene, 2,6-dimethyl-
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3649 | Relay (1.0) Calculated Property | |
| ΔfG° | 214.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 114.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.10; 8.48] | eV |
|
| IE | 8.10 ± 0.02 | eV | NIST |
| IE | 8.48 | eV | NIST |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.946 | Crippen Calculated Property | |
| McVol | 123.700 | ml/mol | McGowan Calculated Property |
| Pc | 2969.80 | kPa | Joback Calculated Property |
| Inp | [1060.00; 1117.90] |
|
|
| Inp | 1078.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | Outlier 1117.90 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Tboil | 457.61 | K | Relay (1.0) Calculated Property |
| Tc | 674.16 | K | Relay (1.0) Calculated Property |
| Tfus | 234.50 ± 0.40 | K | NIST |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 339.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.66; 382.12] | 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 | -1.45000e+01 | |||
| Coefficient B | 7.35940e-01 | |||
| Coefficient C | -4.40220e-04 | |||
| Coefficient D | 1.00900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 230.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 261.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 289.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 313.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 334.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 352.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 368.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 382.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021550; 0.0001962] | Pa×s | [234.50; 471.61] |
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 | -1.09066e+01 | |||
| Coefficient B | 1.11778e+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. | 234.50 | |||
| Temperature range, max. | 471.61 | |||
| η | 0.0021550 | Pa×s | 234.50 | Calculated Property |
| η | 0.0013315 | Pa×s | 260.85 | Calculated Property |
| η | 0.0008987 | Pa×s | 287.19 | Calculated Property |
| η | 0.0006480 | Pa×s | 313.54 | Calculated Property |
| η | 0.0004916 | Pa×s | 339.88 | Calculated Property |
| η | 0.0003880 | Pa×s | 366.23 | Calculated Property |
| η | 0.0003161 | Pa×s | 392.57 | Calculated Property |
| η | 0.0002643 | Pa×s | 418.92 | Calculated Property |
| η | 0.0002257 | Pa×s | 445.26 | Calculated Property |
| η | 0.0001962 | Pa×s | 471.61 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [343.46; 491.65] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.45622e+01 | |||
| Coefficient B | -3.89523e+03 | |||
| Coefficient C | -7.05780e+01 | |||
| Temperature range, min. | 343.46 | |||
| Temperature range, max. | 491.65 | |||
| Pvap | 1.33 | kPa | 343.46 | Calculated Property |
| Pvap | 3.00 | kPa | 359.93 | Calculated Property |
| Pvap | 6.20 | kPa | 376.39 | Calculated Property |
| Pvap | 11.89 | kPa | 392.86 | Calculated Property |
| Pvap | 21.40 | kPa | 409.32 | Calculated Property |
| Pvap | 36.46 | kPa | 425.79 | Calculated Property |
| Pvap | 59.27 | kPa | 442.25 | Calculated Property |
| Pvap | 92.45 | kPa | 458.72 | Calculated Property |
| Pvap | 139.08 | kPa | 475.18 | Calculated Property |
| Pvap | 202.65 | kPa | 491.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-ethenyl-1,3-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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