Chemical Properties of Benzene, (2-methylpropyl)- (CAS 538-93-2)

Benzene, (2-methylpropyl)-

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InChI
InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key
KXUHSQYYJYAXGZ-UHFFFAOYSA-N
Formula
C10H14
SMILES
CC(C)Cc1ccccc1
Molecular Weight1
134.22
CAS
538-93-2
Other Names
  • (2-METHYLPROPYL)BENZENE
  • 1-PHENYL-2-METHYLPROPANE
  • 1-PHENYLISOBUTANE
  • 2-Methyl-1-phenylpropane
  • 2-methylpropylbenzene
  • Benzene, isobutyl-
  • Isobutylbenzene
  • benzene, 2-methylpropyl-
  • i-Butylbenzene
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Physical Properties

Property Value Unit Source
ω 0.3800 KDB
Δcliquid -5866.10 ± 1.00 kJ/mol NIST
μ 0.30 debye KDB
Δf 143.29 kJ/mol Joback Calculated Property
Δc,grossH 5877.27 kJ/mol KDB
Δc,netH 5569.741 kJ/mol KDB
Δfgas [-21.56; -21.50] kJ/mol Show Hide
Δfgas -21.56 kJ/mol KDB
Δfgas -21.50 ± 1.40 kJ/mol NIST
Δfliquid -69.90 ± 1.30 kJ/mol NIST
Δfus 12.17 kJ/mol Joback Calculated Property
Δvap [47.87; 49.50] kJ/mol Show Hide
Δvap 47.87 kJ/mol NIST
Δvap 48.00 kJ/mol NIST
Δvap 49.50 kJ/mol NIST
Δvap 48.40 kJ/mol NIST
IE [8.68; 8.71] eV Show Hide
IE 8.68 eV NIST
IE 8.69 ± 0.01 eV NIST
IE 8.71 ± 0.05 eV NIST
log10WS [-4.12; -4.12]   Show Hide
log10WS -4.12 Aq. Sol...
log10WS -4.12 Estimat...
logPoct/wat 2.885 Crippen Calculated Property
McVol 128.000 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 2 KDB
Pc [3050.00; 3050.00] kPa Show Hide
Pc 3050.00 kPa KDB
Pc 3050.00 kPa NIST
Pc 3050.00 ± 5.88 kPa NIST
Inp [982.00; 1014.90]   Show Hide
Inp 990.00 NIST
Inp 990.00 NIST
Inp 1002.00 NIST
Inp 1003.00 NIST
Inp 1002.00 NIST
Inp 1002.00 NIST
Inp 1004.00 NIST
Inp 999.00 NIST
Inp 990.50 NIST
Inp 990.90 NIST
Inp 994.30 NIST
Inp 985.50 NIST
Inp 988.30 NIST
Inp 989.00 NIST
Inp 985.20 NIST
Inp 985.50 NIST
Inp 988.30 NIST
Inp 991.00 NIST
Inp 986.70 NIST
Inp 986.70 NIST
Inp 982.35 NIST
Inp 993.10 NIST
Inp 993.10 NIST
Inp 989.80 NIST
Inp Outlier 1014.00 NIST
Inp 1010.00 NIST
Inp 985.00 NIST
Inp 995.00 NIST
Inp 1012.00 NIST
Inp 1008.20 NIST
Inp 992.00 NIST
Inp 1008.00 NIST
Inp 995.70 NIST
Inp 992.00 NIST
Inp 997.00 NIST
Inp 1001.00 NIST
Inp 989.50 NIST
Inp Outlier 1014.90 NIST
Inp 1009.00 NIST
Inp 997.20 NIST
Inp 998.00 NIST
Inp 991.30 NIST
Inp 992.70 NIST
Inp 994.39 NIST
Inp 994.48 NIST
Inp 994.00 NIST
Inp 988.86 NIST
Inp 992.41 NIST
Inp 994.66 NIST
Inp 1004.03 NIST
Inp 1007.86 NIST
Inp 1010.66 NIST
Inp 992.00 NIST
Inp 1006.00 NIST
Inp 1006.00 NIST
Inp 1012.00 NIST
Inp 1012.00 NIST
Inp 982.00 NIST
Inp 993.00 NIST
Inp 998.00 NIST
Inp 996.00 NIST
Inp 1003.00 NIST
Inp 998.00 NIST
Inp 1012.10 NIST
Inp 992.00 NIST
Inp 992.00 NIST
Inp 1009.00 NIST
Inp 994.00 NIST
Inp 996.00 NIST
Inp 997.00 NIST
Inp 997.00 NIST
Inp 993.00 NIST
Inp 989.90 NIST
Inp 992.00 NIST
Inp 1002.00 NIST
I [1204.00; 1276.00]   Show Hide
I 1217.00 NIST
I 1220.00 NIST
I 1241.30 NIST
I 1235.90 NIST
I 1215.90 NIST
I 1259.00 NIST
I 1268.00 NIST
I 1276.00 NIST
I 1251.00 NIST
I 1250.00 NIST
I 1270.60 NIST
I 1216.00 NIST
I 1204.00 NIST
I 1241.00 NIST
I 1216.00 NIST
I 1228.00 NIST
I 1270.60 NIST
Tboil 445.94 K KDB
Tc [650.00; 657.87] K Show Hide
Tc 650.00 K KDB
Tc 650.00 K NIST
Tc 657.87 ± 0.30 K NIST
Tc 650.30 ± 3.00 K NIST
Tfus 221.70 K KDB
Vc 0.480 m3/kmol KDB
Zc 0.2708890 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [256.43; 337.41] J/mol×K [454.44; 663.87] Show Hide
Cp,gas 256.43 J/mol×K 454.44 Joback Calculated Property
Cp,gas 272.00 J/mol×K 489.35 Joback Calculated Property
Cp,gas 286.70 J/mol×K 524.25 Joback Calculated Property
Cp,gas 300.56 J/mol×K 559.16 Joback Calculated Property
Cp,gas 313.60 J/mol×K 594.06 Joback Calculated Property
Cp,gas 325.87 J/mol×K 628.97 Joback Calculated Property
Cp,gas 337.41 J/mol×K 663.87 Joback Calculated Property
η [0.0007840; 0.0009050] Pa×s [303.15; 313.15] Show Hide
η 0.0009050 Pa×s 303.15 Physica...
η 0.0009050 Pa×s 303.15 Density...
η 0.0008480 Pa×s 308.15 Physica...
η 0.0008480 Pa×s 308.15 Density...
η 0.0007840 Pa×s 313.15 Physica...
η 0.0007840 Pa×s 313.15 Density...
ΔvapH [43.20; 43.80] kJ/mol [403.50; 410.00] Show Hide
ΔvapH 43.80 kJ/mol 403.50 NIST
ΔvapH 43.20 kJ/mol 410.00 NIST
n0 [1.48397; 1.48400]   [298.15; 298.15] Show Hide
n0 1.48400 298.15 KDB
n0 1.48397 298.15 Effect ...
ρl 853.00 kg/m3 293.00 KDB

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 443.20 K 98.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [326.09; 475.46] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.46312e+01
Coefficient B-3.97468e+03
Coefficient C-4.89840e+01
Temperature range, min.326.09
Temperature range, max.475.46
Pvap 1.33 kPa 326.09 Calculated Property
Pvap 3.00 kPa 342.69 Calculated Property
Pvap 6.18 kPa 359.28 Calculated Property
Pvap 11.85 kPa 375.88 Calculated Property
Pvap 21.32 kPa 392.48 Calculated Property
Pvap 36.35 kPa 409.07 Calculated Property
Pvap 59.12 kPa 425.67 Calculated Property
Pvap 92.28 kPa 442.27 Calculated Property
Pvap 138.94 kPa 458.86 Calculated Property
Pvap 202.64 kPa 475.46 Calculated Property
Pvap [2.21e-04; 3004.42] kPa [221.70; 650.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.00897e+01
Coefficient B-8.71651e+03
Coefficient C-1.10159e+01
Coefficient D6.33426e-06
Temperature range, min.221.70
Temperature range, max.650.15
Pvap 2.21e-04 kPa 221.70 Calculated Property
Pvap 0.03 kPa 269.31 Calculated Property
Pvap 0.81 kPa 316.91 Calculated Property
Pvap 7.70 kPa 364.52 Calculated Property
Pvap 39.84 kPa 412.12 Calculated Property
Pvap 138.89 kPa 459.73 Calculated Property
Pvap 372.03 kPa 507.33 Calculated Property
Pvap 833.10 kPa 554.94 Calculated Property
Pvap 1649.98 kPa 602.54 Calculated Property
Pvap 3004.42 kPa 650.15 Calculated Property

Similar Compounds

Benzene, 1,4-bis-(2-methylpropyl). Benzene, 1-methyl-4-(2-methylpropyl)-. Naphthalene, 2-(2-methylpropyl). Propanal, 2-methyl-3-phenyl-. 1-Methyl-3-isobutylbenzene. Benzene, 1-(1,1-dimethylethyl)-4-(2-methylpropyl). Benzene, propyl-. Phenol, 4-(2-methylpropyl)-. Naphthalene, 1-(2-methylpropyl)-. Benzene, 1-ethenyl-4-(2-methylpropyl)-. Benzene, (2-methylbutyl)-. 4'-(2-Methylpropyl)acetophenone. Cyclopropylphenylmethane. Benzene, (2,2-dimethylpropyl)-. Benzene, (2-methyl-3-butenyl)-.

Find more compounds similar to Benzene, (2-methylpropyl)-.

Mixtures

Sources

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