Chemical Properties of Benzene, 1-ethenyl-4-methyl- (CAS 622-97-9)

Benzene, 1-ethenyl-4-methyl-

InChI
InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InChI Key
JLBJTVDPSNHSKJ-UHFFFAOYSA-N
Formula
C9H10
SMILES
C=Cc1ccc(C)cc1
Molecular Weight1
118.18
CAS
622-97-9
Other Names
  • 1-Ethenyl-4-methylbenzene
  • 1-Methyl-4-ethenylbenzene
  • 1-Methyl-4-vinylbenzene
  • 1-p-Tolylethene
  • 4-Methylstyrene
  • 4-Vinyltoluene
  • Styrene, p-methyl-
  • p-Methyl-styrene
  • p-Methylstyrene
  • p-Vinyltoluene
  • para-Methylstyrene
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Physical Properties

Property Value Unit Source
ω [0.2830; 0.3250]   Show Hide
ω 0.2830 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.3128 Passut and Danner (1973), critical constants and acentric factors Compiled value
ω 0.3250 KDB
PAff 861.70 kJ/mol NIST
BasG 832.80 kJ/mol NIST
ΔfG° 215.52 kJ/mol Joback Calculated Property
Δc,grossH 5042.56 kJ/mol KDB
Δc,netH 4822.897 kJ/mol KDB
ΔfH°gas 133.16 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.44 kJ/mol Joback Calculated Property
ΔvapH° 46.52 kJ/mol Relay (1.0) Calculated Property
IE [8.10; 8.20] eV Show Hide
IE 8.10 ± 0.10 eV NIST
IE 8.20 eV NIST
log10WS -3.03 Relay (1.0) Calculated Property
logPoct/wat 2.638 Crippen Calculated Property
McVol 109.610 ml/mol McGowan Calculated Property
Pc [3303.20; 3543.91] kPa Show Hide
Pc 3303.20 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 3543.91 kPa Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc 3370.00 kPa KDB
Inp [155.70; 1000.00]   Show Hide
Inp 982.00 NIST
Inp 979.00 NIST
Inp 980.50 NIST
Inp 965.90 NIST
Inp 1000.00 NIST
Inp 985.00 NIST
Inp 978.60 NIST
Inp 980.30 NIST
Inp 978.60 NIST
Inp 980.30 NIST
Inp 977.50 NIST
Inp 977.60 NIST
Inp 977.90 NIST
Inp 982.00 NIST
Inp 966.00 NIST
Inp 980.00 NIST
Inp 978.00 NIST
Inp 985.00 NIST
Inp Outlier 155.70 NIST
Inp Outlier 158.68 NIST
Inp 982.00 NIST
Inp 985.00 NIST
Inp 977.50 NIST
Inp Outlier 155.70 NIST
Inp 966.00 NIST
Ip [1348.60; 1396.80]   Show Hide
Ip 1385.20 NIST
Ip 1396.80 NIST
Ip 1348.60 NIST
Ip 1349.00 NIST
Ip 1349.00 NIST
Tboil [442.20; 446.00] K Show Hide
Tboil 442.20 K KDB
Tboil 446.00 K NIST
Tboil 444.95 ± 2.00 K NIST
Tboil 444.65 ± 3.00 K NIST
Tboil 445.65 ± 4.00 K NIST
Tc [659.70; 675.93] K Show Hide
Tc 669.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 675.93 K Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc 659.70 K KDB
Tfus [202.85; 239.30] K Show Hide
Tfus 239.10 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 239.00 K KDB
Tfus 239.30 ± 0.40 K NIST
Tfus 239.00 ± 0.15 K NIST
Tfus 235.35 ± 0.50 K NIST
Tfus Outlier 202.85 K NIST
Vc [0.402; 0.412] m3/kmol Show Hide
Vc 0.402 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.412 m3/kmol KDB
Zc 0.2534370 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH [35.98; 47.60] kJ/mol [347.00; 442.20] Show Hide
ΔvapH 47.60 kJ/mol 347.00 NIST
ΔvapH 35.98 kJ/mol 442.20 KDB
n0 1.53950 298.15 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [131.89; 333.57] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = 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 B7.00420e-01
Coefficient C-4.52860e-04
Coefficient D1.13900e-07
Coefficient E0.00000e+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 [0.0016547; 0.0001812] Pa×s [238.35; 467.75] Joback Predicted correlation Show Hide
EquationY = 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 B1.07488e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.238.35
Temperature range, max.467.75
η 0.0016547 Pa×s 238.35 Calculated Property
η 0.0010703 Pa×s 263.84 Calculated Property
η 0.0007476 Pa×s 289.33 Calculated Property
η 0.0005534 Pa×s 314.82 Calculated Property
η 0.0004285 Pa×s 340.30 Calculated Property
η 0.0003439 Pa×s 365.79 Calculated Property
η 0.0002839 Pa×s 391.28 Calculated Property
η 0.0002400 Pa×s 416.77 Calculated Property
η 0.0002069 Pa×s 442.26 Calculated Property
η 0.0001812 Pa×s 467.75 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [326.31; 475.86] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.43047e+01
Coefficient B-3.75249e+03
Coefficient C-5.86000e+01
Temperature range, min.326.31
Temperature range, max.475.86
Pvap 1.33 kPa 326.31 Calculated Property
Pvap 3.02 kPa 342.93 Calculated Property
Pvap 6.27 kPa 359.54 Calculated Property
Pvap 12.04 kPa 376.16 Calculated Property
Pvap 21.66 kPa 392.78 Calculated Property
Pvap 36.87 kPa 409.39 Calculated Property
Pvap 59.82 kPa 426.01 Calculated Property
Pvap 93.06 kPa 442.63 Calculated Property
Pvap 139.56 kPa 459.24 Calculated Property
Pvap 202.65 kPa 475.86 Calculated Property
Pvap [1.51e-03; 3359.14] kPa [239.02; 665.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A8.42136e+01
Coefficient B-8.61409e+03
Coefficient C-1.00306e+01
Coefficient D4.65024e-06
Coefficient E0.00000e+00
Temperature range, min.239.02
Temperature range, max.665.00
Pvap 1.51e-03 kPa 239.02 Calculated Property
Pvap 0.11 kPa 286.35 Calculated Property
Pvap 1.89 kPa 333.68 Calculated Property
Pvap 14.44 kPa 381.01 Calculated Property
Pvap 64.82 kPa 428.34 Calculated Property
Pvap 204.45 kPa 475.68 Calculated Property
Pvap 506.48 kPa 523.01 Calculated Property
Pvap 1059.93 kPa 570.34 Calculated Property
Pvap 1968.68 kPa 617.67 Calculated Property
Pvap 3359.14 kPa 665.00 Calculated Property
Pvap [0.38; 9.45] kPa [304.97; 370.08] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.42146e+01
Coefficient B-3.67219e+03
Coefficient C-6.32550e+01
ReferenceClements, Wise, et al., 1953
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.304.97
Temperature range, max.370.08
Pvap 0.38 kPa 304.97 Calculated Property
Pvap 0.58 kPa 312.20 Calculated Property
Pvap 0.89 kPa 319.44 Calculated Property
Pvap 1.32 kPa 326.67 Calculated Property
Pvap 1.91 kPa 333.91 Calculated Property
Pvap 2.72 kPa 341.14 Calculated Property
Pvap 3.80 kPa 348.38 Calculated Property
Pvap 5.23 kPa 355.61 Calculated Property
Pvap 7.08 kPa 362.85 Calculated Property
Pvap 9.45 kPa 370.08 Calculated Property
Pvap [2.73; 98.53] kPa [341.80; 443.00] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.40661e+01
Coefficient B-3.49367e+03
Coefficient C-7.43040e+01
ReferenceBuck, Coles, et al., 1949
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.341.80
Temperature range, max.443.00
Pvap 2.73 kPa 341.80 Calculated Property
Pvap 4.63 kPa 353.04 Calculated Property
Pvap 7.53 kPa 364.29 Calculated Property
Pvap 11.80 kPa 375.53 Calculated Property
Pvap 17.91 kPa 386.78 Calculated Property
Pvap 26.41 kPa 398.02 Calculated Property
Pvap 37.94 kPa 409.27 Calculated Property
Pvap 53.24 kPa 420.51 Calculated Property
Pvap 73.13 kPa 431.76 Calculated Property
Pvap 98.53 kPa 443.00 Calculated Property
Pvap [0.38; 9.45] kPa [304.97; 370.08] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.42146e+01
Coefficient B-3.67219e+03
Coefficient C-6.32550e+01
ReferenceClements, Wise, et al., 1953, 2
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.304.97
Temperature range, max.370.08
Pvap 0.38 kPa 304.97 Calculated Property
Pvap 0.58 kPa 312.20 Calculated Property
Pvap 0.89 kPa 319.44 Calculated Property
Pvap 1.32 kPa 326.67 Calculated Property
Pvap 1.91 kPa 333.91 Calculated Property
Pvap 2.72 kPa 341.14 Calculated Property
Pvap 3.80 kPa 348.38 Calculated Property
Pvap 5.23 kPa 355.61 Calculated Property
Pvap 7.08 kPa 362.85 Calculated Property
Pvap 9.45 kPa 370.08 Calculated Property
Pvap [2.73; 98.53] kPa [341.80; 443.00] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.40661e+01
Coefficient B-3.49367e+03
Coefficient C-7.43040e+01
ReferenceBuck, Coles, et al., 1949, 2
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.341.80
Temperature range, max.443.00
Pvap 2.73 kPa 341.80 Calculated Property
Pvap 4.63 kPa 353.04 Calculated Property
Pvap 7.53 kPa 364.29 Calculated Property
Pvap 11.80 kPa 375.53 Calculated Property
Pvap 17.91 kPa 386.78 Calculated Property
Pvap 26.41 kPa 398.02 Calculated Property
Pvap 37.94 kPa 409.27 Calculated Property
Pvap 53.24 kPa 420.51 Calculated Property
Pvap 73.13 kPa 431.76 Calculated Property
Pvap 98.53 kPa 443.00 Calculated Property

Similar Compounds

Benzene, 1,4-diethenyl-. (E)-1,2-bis(4-methylphenyl)ethene. Benzonitrile, 4-ethenyl-. Styrene. Vinylbenzaldehyde. Benzene, 1-ethenyl-3-methyl-. Benzene, 4-ethenyl-1,2-dimethyl-. 1-Methyl-4-isoallylbenzene. 4-Methyl-trans-«beta»-methylstyrene. 2,4-Dimethylstyrene. Tricyclo[8.2.2.2(4,7)]hexadeca-2,4,6,8,10,12,13,15-octaene. Benzene, 1-bromo-4-ethenyl-. Benzene, 1-ethenyl-4-ethyl-. Benzene, 1,3-diethenyl-. Benzene, 1-ethenyl-2-methyl-.

Find more compounds similar to Benzene, 1-ethenyl-4-methyl-.

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