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-Methylstyrene
  • p-Vinyltoluene
  • para-Methylstyrene
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Physical Properties

Property Value Unit Source
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 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
I [1348.60; 1396.80]   Show Hide
I 1385.20 NIST
I 1396.80 NIST
I 1348.60 NIST
I 1349.00 NIST
I 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 K KDB
Tfus [202.85; 239.30] K Show Hide
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 202.85 K NIST
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 [0.0019062; 0.0001867] Pa×s [231.10; 461.79] 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
Temperature range, min.231.10
Temperature range, max.461.79
η 0.0019062 Pa×s 231.10 Calculated Property
η 0.0011981 Pa×s 256.73 Calculated Property
η 0.0008193 Pa×s 282.36 Calculated Property
η 0.0005968 Pa×s 308.00 Calculated Property
η 0.0004565 Pa×s 333.63 Calculated Property
η 0.0003627 Pa×s 359.26 Calculated Property
η 0.0002972 Pa×s 384.89 Calculated Property
η 0.0002496 Pa×s 410.53 Calculated Property
η 0.0002140 Pa×s 436.16 Calculated Property
η 0.0001867 Pa×s 461.79 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
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
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
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
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-. 4-Methyl-trans-«beta»-methylstyrene. 1-Methyl-4-isoallylbenzene. 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-.

Sources

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