Chemical Properties of Benzene, 1-ethenyl-3-methyl- (CAS 100-80-1)

Benzene, 1-ethenyl-3-methyl-

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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
  • M-VINYLTOLUENE
  • Styrene, m-methyl-
  • m-Methylstyrene

Physical Properties

Property Value Unit Source
ω 0.3250 KDB
PAff 849.40 kJ/mol NIST
BasG 820.50 kJ/mol NIST
Δf 215.52 kJ/mol Joback Calculated Property
Δc,grossH 5042.98 kJ/mol KDB
Δc,netH 4823.316 kJ/mol KDB
Δfgas 121.40 kJ/mol Joback Calculated Property
Δfus 11.44 kJ/mol Joback Calculated Property
Δvap 37.90 kJ/mol Joback Calculated Property
IE [8.15; 8.37] eV Show Hide
IE 8.15 ± 0.02 eV NIST
IE 8.37 eV NIST
log10WS -2.77 Crippen 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]   Show Hide
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]   Show Hide
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 Show Hide
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 Show Hide
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
Cp,gas [199.98; 266.56] J/mol×K [433.66; 646.99] Show Hide
Cp,gas 199.98 J/mol×K 433.66 Joback Calculated Property
Cp,gas 212.82 J/mol×K 469.22 Joback Calculated Property
Cp,gas 224.92 J/mol×K 504.77 Joback Calculated Property
Cp,gas 236.32 J/mol×K 540.33 Joback Calculated Property
Cp,gas 247.04 J/mol×K 575.88 Joback Calculated Property
Cp,gas 257.10 J/mol×K 611.44 Joback Calculated Property
Cp,gas 266.56 J/mol×K 646.99 Joback Calculated Property
η [0.0002171; 0.0020152] Pa×s [228.37; 433.66] Show Hide
η 0.0020152 Pa×s 228.37 Joback Calculated Property
η 0.0010913 Pa×s 262.58 Joback Calculated Property
η 0.0006808 Pa×s 296.80 Joback Calculated Property
η 0.0004682 Pa×s 331.01 Joback Calculated Property
η 0.0003454 Pa×s 365.23 Joback Calculated Property
η 0.0002684 Pa×s 399.44 Joback Calculated Property
η 0.0002171 Pa×s 433.66 Joback Calculated Property
ΔvapH [36.36; 47.50] kJ/mol [349.50; 441.20] Show Hide
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
Pvap [1.33; 202.67] kPa [324.24; 473.01] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47415e+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 Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.00504e+01
Coefficient B-7.60691e+03
Coefficient C-6.31787e+00
Coefficient D1.26334e-06
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

Similar Compounds

Benzene, 1,3-diethenyl-. Benzene, 4-ethenyl-1,2-dimethyl-. Benzene, 1-ethenyl-3,5-dimethyl-. Benzene, 2-ethenyl-1,4-dimethyl-. 2,3-Dimethylstyrene. 1-Methyl-3-isoallylbenzene. Benzene, 1-ethenyl-2-methyl-. Vinylphenylacetonitrile. Benzene, 1-ethenyl-4-methyl-. 2,4-Dimethylstyrene. Styrene. Z-3-Methylcinnamaldehyde. (E)-3-Methylcinnamaldehyde. Benzene, 1-ethenyl-3-ethyl-. o-Divinylbenzene.

Find more compounds similar to Benzene, 1-ethenyl-3-methyl-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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