- InChI
- InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
- InChI Key
- JZHGRUMIRATHIU-UHFFFAOYSA-N
- Formula
- C9H10
- SMILES
- C=Cc1cccc(C)c1
- Molecular Weight1
- 118.18
- CAS
- 100-80-1
- Other Names
-
- 1-METHYL-3-ETHENYLBENZENE
- 1-Methyl-3-vinylbenzene
- 3-Methylstyrene
- 3-Vinyltoluene
- Styrene, m-methyl-
- m-Methylstyrene
- m-Vinyltoluene
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- n0 : Refractive Index.
- Inp : Non-polar retention indices.
- I : 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).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3250 | KDB | |
| PAff | 849.40 | kJ/mol | NIST |
| BasG | 820.50 | kJ/mol | NIST |
| ΔfG° | 215.52 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 5042.98 | kJ/mol | KDB |
| Δc,netH | 4823.316 | kJ/mol | KDB |
| ΔfH°gas | 137.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.15; 8.37] | eV |
|
| IE | 8.15 ± 0.02 | eV | NIST |
| IE | 8.37 | eV | NIST |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.638 | Crippen Calculated Property | |
| McVol | 109.610 | ml/mol | McGowan Calculated Property |
| Pc | 3370.00 | kPa | KDB |
| Inp | [156.20; 1000.00] |
|
|
| Inp | 956.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 960.50 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 976.30 | NIST | |
| Inp | 978.70 | NIST | |
| Inp | 985.90 | NIST | |
| Inp | 991.40 | NIST | |
| Inp | 997.80 | NIST | |
| Inp | 976.30 | NIST | |
| Inp | 978.70 | NIST | |
| Inp | 972.70 | NIST | |
| Inp | 973.20 | NIST | |
| Inp | 973.20 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | Outlier 156.20 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 991.40 | NIST | |
| Inp | 973.20 | NIST | |
| I | [1348.00; 1396.80] |
|
|
| I | 1385.20 | NIST | |
| I | 1396.80 | NIST | |
| I | 1348.10 | NIST | |
| I | 1388.10 | NIST | |
| I | 1387.40 | NIST | |
| I | 1348.00 | NIST | |
| I | 1348.00 | NIST | |
| I | 1385.20 | NIST | |
| Tboil | [437.15; 444.80] | K |
|
| Tboil | 441.20 | K | KDB |
| Tboil | 443.70 | K | NIST |
| Tboil | 444.80 | K | NIST |
| Tboil | 442.65 ± 2.00 | K | NIST |
| Tboil | 437.15 ± 5.00 | K | NIST |
| Tc | 658.20 | K | KDB |
| Tfus | [186.81; 203.00] | K |
|
| Tfus | 187.00 | K | KDB |
| Tfus | 186.81 ± 0.16 | K | NIST |
| Tfus | 203.00 ± 6.00 | K | NIST |
| Ttriple | 250.78 ± 0.02 | K | NIST |
| Vc | 0.412 | m3/kmol | KDB |
| Zc | 0.2540150 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [36.36; 47.50] | kJ/mol | [349.50; 441.20] |
|
| ΔvapH | 47.50 | kJ/mol | 349.50 | NIST |
| ΔvapH | 36.36 | kJ/mol | 441.20 | KDB |
| n0 | 1.53850 | 298.15 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 334.70 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.89; 333.57] | 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 | -2.78900e+01 | |||
| Coefficient B | 7.00420e-01 | |||
| Coefficient C | -4.52860e-04 | |||
| Coefficient D | 1.13900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 131.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 200.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 228.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 252.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 274.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 292.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 308.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 321.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 333.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0048765; 0.0001877] | Pa×s | [192.27; 460.74] |
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 | -1.09138e+01 | |||
| Coefficient B | 1.07488e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 192.27 | |||
| Temperature range, max. | 460.74 | |||
| η | 0.0048765 | Pa×s | 192.27 | Calculated Property |
| η | 0.0023015 | Pa×s | 222.10 | Calculated Property |
| η | 0.0012976 | Pa×s | 251.93 | Calculated Property |
| η | 0.0008260 | Pa×s | 281.76 | Calculated Property |
| η | 0.0005733 | Pa×s | 311.59 | Calculated Property |
| η | 0.0004241 | Pa×s | 341.42 | Calculated Property |
| η | 0.0003293 | Pa×s | 371.25 | Calculated Property |
| η | 0.0002655 | Pa×s | 401.08 | Calculated Property |
| η | 0.0002206 | Pa×s | 430.91 | Calculated Property |
| η | 0.0001877 | Pa×s | 460.74 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [324.24; 473.01] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47415e+01 | |||
| Coefficient B | -4.03605e+03 | |||
| Coefficient C | -4.50060e+01 | |||
| Temperature range, min. | 324.24 | |||
| Temperature range, max. | 473.01 | |||
| Pvap | 1.33 | kPa | 324.24 | Calculated Property |
| Pvap | 2.99 | kPa | 340.77 | Calculated Property |
| Pvap | 6.16 | kPa | 357.30 | Calculated Property |
| Pvap | 11.79 | kPa | 373.83 | Calculated Property |
| Pvap | 21.22 | kPa | 390.36 | Calculated Property |
| Pvap | 36.18 | kPa | 406.89 | Calculated Property |
| Pvap | 58.90 | kPa | 423.42 | Calculated Property |
| Pvap | 92.04 | kPa | 439.95 | Calculated Property |
| Pvap | 138.76 | kPa | 456.48 | Calculated Property |
| Pvap | 202.67 | kPa | 473.01 | Calculated Property |
| Pvap | [1.16e-06; 3069.09] | kPa | [186.81; 657.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 6.00504e+01 | |||
| Coefficient B | -7.60691e+03 | |||
| Coefficient C | -6.31787e+00 | |||
| Coefficient D | 1.26334e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 186.81 | |||
| Temperature range, max. | 657.00 | |||
| Pvap | 1.16e-06 | kPa | 186.81 | Calculated Property |
| Pvap | 1.84e-03 | kPa | 239.05 | Calculated Property |
| Pvap | 0.16 | kPa | 291.30 | Calculated Property |
| Pvap | 3.21 | kPa | 343.54 | Calculated Property |
| Pvap | 25.59 | kPa | 395.78 | Calculated Property |
| Pvap | 116.24 | kPa | 448.03 | Calculated Property |
| Pvap | 363.03 | kPa | 500.27 | Calculated Property |
| Pvap | 874.97 | kPa | 552.51 | Calculated Property |
| Pvap | 1753.08 | kPa | 604.76 | Calculated Property |
| Pvap | 3069.09 | kPa | 657.00 | Calculated Property |
| Pvap | [2.71; 99.24] | kPa | [340.80; 442.30] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43169e+01 | |||
| Coefficient B | -3.64844e+03 | |||
| Coefficient C | -6.69220e+01 | |||
| Reference | Buck, Coles, et al., 1949, 2 | |||
| Temperature range, min. | 340.80 | |||
| Temperature range, max. | 442.30 | |||
| Pvap | 2.71 | kPa | 340.80 | Calculated Property |
| Pvap | 4.58 | kPa | 352.08 | Calculated Property |
| Pvap | 7.46 | kPa | 363.36 | Calculated Property |
| Pvap | 11.71 | kPa | 374.63 | Calculated Property |
| Pvap | 17.80 | kPa | 385.91 | Calculated Property |
| Pvap | 26.31 | kPa | 397.19 | Calculated Property |
| Pvap | 37.89 | kPa | 408.47 | Calculated Property |
| Pvap | 53.31 | kPa | 419.74 | Calculated Property |
| Pvap | 73.44 | kPa | 431.02 | Calculated Property |
| Pvap | 99.24 | kPa | 442.30 | Calculated Property |
| Pvap | [2.71; 99.24] | kPa | [340.80; 442.30] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43169e+01 | |||
| Coefficient B | -3.64844e+03 | |||
| Coefficient C | -6.69220e+01 | |||
| Reference | Buck, Coles, et al., 1949 | |||
| Temperature range, min. | 340.80 | |||
| Temperature range, max. | 442.30 | |||
| Pvap | 2.71 | kPa | 340.80 | Calculated Property |
| Pvap | 4.58 | kPa | 352.08 | Calculated Property |
| Pvap | 7.46 | kPa | 363.36 | Calculated Property |
| Pvap | 11.71 | kPa | 374.63 | Calculated Property |
| Pvap | 17.80 | kPa | 385.91 | Calculated Property |
| Pvap | 26.31 | kPa | 397.19 | Calculated Property |
| Pvap | 37.89 | kPa | 408.47 | Calculated Property |
| Pvap | 53.31 | kPa | 419.74 | Calculated Property |
| Pvap | 73.44 | kPa | 431.02 | Calculated Property |
| Pvap | 99.24 | kPa | 442.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethenyl-3-methyl-.
Sources
- KDB Vapor Pressure Data
- 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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