Chemical Properties of Benzene, 1,4-bis(1-methylethyl)- (CAS 100-18-5)

Benzene, 1,4-bis(1-methylethyl)-

InChI
InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
InChI Key
SPPWGCYEYAMHDT-UHFFFAOYSA-N
Formula
C12H18
SMILES
CC(C)c1ccc(C(C)C)cc1
Molecular Weight1
162.27
CAS
100-18-5
Other Names
  • 1,4-Bis(1-methylethyl)benzene
  • 1,4-diisopropylbenzene
  • 4-Isopropylcumene
  • Benzene, 1,4-di-(1-methylethyl)
  • Benzene, p-diisopropyl-
  • benzene, 1,4-diisopropyl-
  • p-bis(1-methylethyl)benzene
  • p-diisopropylbenzene
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Physical Properties

Property Value Unit Source
ω [0.4764; 0.4818]   Show Hide
ω 0.4818 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.4764 ChemSep v8.3 pure component data Compiled value
ΔfG° 147.80 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -77.60 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°liquid -132.30 kJ/mol NIST
ΔfusH° 13.44 kJ/mol Joback Calculated Property
ΔvapH° 56.50 ± 0.30 kJ/mol NIST
IE 8.35 eV NIST
log10WS -5.20 Relay (1.0) Calculated Property
logPoct/wat 3.933 Crippen Calculated Property
McVol 156.180 ml/mol McGowan Calculated Property
Pc [2357.83; 9777.86] kPa Show Hide
Pc 2360.00 kPa Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
Pc 2357.83 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 2360.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 2358.00 kPa KDB
Pc 9777.86 ± 405.30 kPa NIST
Ptriple 6.98e-04 kPa ChemSep v8.3 pure component data Compiled value
Inp [1143.00; 1183.00]   Show Hide
Inp 1152.70 NIST
Inp 1152.10 NIST
Inp 1168.70 NIST
Inp 1168.90 NIST
Inp 1160.00 NIST
Inp 1160.00 NIST
Inp 1162.00 NIST
Inp 1167.00 NIST
Inp 1171.00 NIST
Inp 1151.20 NIST
Inp 1153.40 NIST
Inp 1161.60 NIST
Inp 1166.70 NIST
Inp 1171.30 NIST
Inp 1151.20 NIST
Inp 1153.40 NIST
Inp 1154.00 NIST
Inp 1148.55 NIST
Inp 1152.00 NIST
Inp 1158.00 NIST
Inp 1179.00 NIST
Inp 1159.50 NIST
Inp Outlier 1183.00 NIST
Inp 1170.10 NIST
Inp 1173.40 NIST
Inp 1174.70 NIST
Inp 1154.40 NIST
Inp 1160.90 NIST
Inp 1170.10 NIST
Inp 1173.40 NIST
Inp 1174.70 NIST
Inp 1160.00 NIST
Inp 1158.00 NIST
Inp 1162.00 NIST
Inp 1162.00 NIST
Inp 1162.00 NIST
Inp 1167.00 NIST
Inp 1167.00 NIST
Inp Outlier 1143.00 NIST
Inp 1157.00 NIST
Inp 1162.00 NIST
Inp 1168.00 NIST
Inp 1161.00 NIST
Inp 1158.00 NIST
Inp 1159.50 NIST
Inp 1162.00 NIST
Inp Outlier 1143.00 NIST
Ip [1358.00; 1435.00]   Show Hide
Ip 1380.70 NIST
Ip 1417.60 NIST
Ip 1404.00 NIST
Ip 1402.00 NIST
Ip 1402.00 NIST
Ip 1412.00 NIST
Ip 1426.00 NIST
Ip 1435.00 NIST
Ip 1392.00 NIST
Ip 1358.00 NIST
Ip 1418.00 NIST
Ip 1380.70 NIST
Ip 1358.00 NIST
Ip 1418.00 NIST
Tboil [477.00; 483.52] K Show Hide
Tboil 483.52 K ChemSep v8.3 pure component data Compiled value
Tboil 483.45 K KDB
Tboil 483.50 K NIST
Tboil 483.52 ± 2.00 K NIST
Tboil 483.50 ± 2.00 K NIST
Tboil 477.00 ± 8.00 K NIST
Tboil 477.65 ± 1.50 K NIST
Tc [674.74; 794.15] K Show Hide
Tc 674.74 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 675.00 K ChemSep v8.3 pure component data Compiled value
Tc 674.75 K KDB
Tc 794.15 ± 3.00 K NIST
Tfus [256.05; 256.15] K Show Hide
Tfus 256.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 256.08 K ChemSep v8.3 pure component data Compiled value
Tfus 256.05 K KDB
Tfus 256.07 ± 0.05 K NIST
Tfus 256.11 ± 0.02 K NIST
Tfus 256.11 ± 0.02 K NIST
Tfus 256.12 ± 0.01 K NIST
Tfus 256.08 ± 1.00 K NIST
Ttriple 256.08 K ChemSep v8.3 pure component data Compiled value
UQi 5.69 ChemSep v8.3 pure component data Compiled value
URi 7.35 ChemSep v8.3 pure component data Compiled value
Vc [0.584; 0.584] m3/kmol Show Hide
Vc 0.584 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.584 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.584 m3/kmol KDB
Zc [0.2455420; 0.2560000]   Show Hide
Zc 0.2560000 ChemSep v8.3 pure component data Compiled value
Zc 0.2455420 KDB
Zra 0.26 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH [39.30; 56.30] kJ/mol [300.50; 448.00] Show Hide
ΔvapH 56.30 ± 0.30 kJ/mol 300.50 NIST
ΔvapH 47.60 kJ/mol 439.00 NIST
ΔvapH 48.90 kJ/mol 439.00 NIST
ΔvapH 50.70 ± 0.20 kJ/mol 448.00 NIST
ΔvapH 46.30 ± 0.30 kJ/mol 448.00 NIST
ΔvapH 43.00 ± 0.50 kJ/mol 448.00 NIST
ΔvapH 39.30 ± 0.90 kJ/mol 448.00 NIST
ρl 860.05 kg/m3 293.10 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [220.80; 595.85] J/mol×K [300.00; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.00830e+02
Coefficient B-5.31560e+02
Coefficient C6.54824e+00
Coefficient D4.33330e-05
Coefficient E-2.41180e-08
Temperature range, min.300.00
Temperature range, max.1500.00
Cp,gas 220.80 J/mol×K 300.00 Calculated Property
Cp,gas 308.47 J/mol×K 433.33 Calculated Property
Cp,gas 378.66 J/mol×K 566.67 Calculated Property
Cp,gas 433.58 J/mol×K 700.00 Calculated Property
Cp,gas 476.88 J/mol×K 833.33 Calculated Property
Cp,gas 511.47 J/mol×K 966.67 Calculated Property
Cp,gas 539.39 J/mol×K 1100.00 Calculated Property
Cp,gas 562.11 J/mol×K 1233.33 Calculated Property
Cp,gas 580.68 J/mol×K 1366.67 Calculated Property
Cp,gas 595.85 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [265.71; 401.55] J/mol×K [256.08; 483.65] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A-7.05700e+01
Coefficient B9.44760e+01
Coefficient C4.44124e+00
Coefficient D4.82580e-03
Coefficient E-3.47710e-06
Temperature range, min.256.08
Temperature range, max.483.65
Cp,liquid 265.71 J/mol×K 256.08 Calculated Property
Cp,liquid 280.00 J/mol×K 281.37 Calculated Property
Cp,liquid 295.27 J/mol×K 306.65 Calculated Property
Cp,liquid 311.12 J/mol×K 331.94 Calculated Property
Cp,liquid 327.21 J/mol×K 357.22 Calculated Property
Cp,liquid 343.24 J/mol×K 382.51 Calculated Property
Cp,liquid 358.93 J/mol×K 407.79 Calculated Property
Cp,liquid 374.04 J/mol×K 433.08 Calculated Property
Cp,liquid 388.32 J/mol×K 458.36 Calculated Property
Cp,liquid 401.55 J/mol×K 483.65 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0015610; 0.0001104] Pa×s [256.08; 573.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-8.99120e+00
Coefficient B1.14870e+03
Coefficient C-3.58330e-01
Coefficient D4.60370e-07
Coefficient E2.00000e+00
Temperature range, min.256.08
Temperature range, max.573.00
η 0.0015610 Pa×s 256.08 Calculated Property
η 0.0008744 Pa×s 291.29 Calculated Property
η 0.0005541 Pa×s 326.51 Calculated Property
η 0.0003835 Pa×s 361.72 Calculated Property
η 0.0002833 Pa×s 396.93 Calculated Property
η 0.0002200 Pa×s 432.15 Calculated Property
η 0.0001777 Pa×s 467.36 Calculated Property
η 0.0001480 Pa×s 502.57 Calculated Property
η 0.0001265 Pa×s 537.79 Calculated Property
η 0.0001104 Pa×s 573.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [59.37; 11.77] kJ/mol [256.08; 666.21] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A9.57210e+01
Coefficient B2.16614e+00
Coefficient C-4.61607e+00
Coefficient D4.77725e+00
Coefficient E-1.85237e+00
Critical temperature, Tc (K)6.75000e+02
Temperature range, min.256.08
Temperature range, max.666.21
ΔvapH 59.37 kJ/mol 256.08 Calculated Property
ΔvapH 56.44 kJ/mol 301.65 Calculated Property
ΔvapH 53.57 kJ/mol 347.22 Calculated Property
ΔvapH 50.53 kJ/mol 392.79 Calculated Property
ΔvapH 47.14 kJ/mol 438.36 Calculated Property
ΔvapH 43.24 kJ/mol 483.93 Calculated Property
ΔvapH 38.67 kJ/mol 529.50 Calculated Property
ΔvapH 33.13 kJ/mol 575.07 Calculated Property
ΔvapH 25.78 kJ/mol 620.64 Calculated Property
ΔvapH 11.77 kJ/mol 666.21 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [358.40; 533.06] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.34508e+01
Coefficient B-3.72488e+03
Coefficient C-7.54240e+01
Temperature range, min.358.40
Temperature range, max.533.06
Pvap 1.33 kPa 358.40 Calculated Property
Pvap 3.10 kPa 377.81 Calculated Property
Pvap 6.52 kPa 397.21 Calculated Property
Pvap 12.60 kPa 416.62 Calculated Property
Pvap 22.67 kPa 436.03 Calculated Property
Pvap 38.43 kPa 455.43 Calculated Property
Pvap 61.87 kPa 474.84 Calculated Property
Pvap 95.31 kPa 494.25 Calculated Property
Pvap 141.31 kPa 513.65 Calculated Property
Pvap 202.64 kPa 533.06 Calculated Property
Pvap [6.87e-04; 2360.00] kPa [256.08; 654.91] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A1.14718e+02
Coefficient B-1.07118e+04
Coefficient C-1.45627e+01
Coefficient D8.94431e-06
Coefficient E2.00000e+00
CommentRange stopped where the equation exceeds Pc; ChemSep gives it to 689 K.
Temperature range, min.256.08
Temperature range, max.654.91
Pvap 6.87e-04 kPa 256.08 Calculated Property
Pvap 0.04 kPa 300.39 Calculated Property
Pvap 0.68 kPa 344.71 Calculated Property
Pvap 5.42 kPa 389.02 Calculated Property
Pvap 26.07 kPa 433.34 Calculated Property
Pvap 89.77 kPa 477.65 Calculated Property
Pvap 246.01 kPa 521.97 Calculated Property
Pvap 575.92 kPa 566.28 Calculated Property
Pvap 1209.63 kPa 610.60 Calculated Property
Pvap 2360.00 kPa 654.91 Calculated Property
Pvap [6.84e-04; 2418.17] kPa [256.08; 689.00] 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 A8.62940e+01
Coefficient B-9.69497e+03
Coefficient C-1.00850e+01
Coefficient D3.10925e-06
Coefficient E0.00000e+00
Temperature range, min.256.08
Temperature range, max.689.00
Pvap 6.84e-04 kPa 256.08 Calculated Property
Pvap 0.05 kPa 304.18 Calculated Property
Pvap 1.02 kPa 352.28 Calculated Property
Pvap 8.54 kPa 400.39 Calculated Property
Pvap 41.44 kPa 448.49 Calculated Property
Pvap 138.67 kPa 496.59 Calculated Property
Pvap 357.64 kPa 544.69 Calculated Property
Pvap 765.46 kPa 592.80 Calculated Property
Pvap 1430.30 kPa 640.90 Calculated Property
Pvap 2418.17 kPa 689.00 Calculated Property
Pvap [3.63; 56.22] kPa [393.41; 484.73] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.33955e+01
Coefficient B-3.77956e+03
Coefficient C-8.12040e+01
ReferenceMcDonald, Shrader, et al., 1959, 2
Temperature range, min.393.41
Temperature range, max.484.73
Pvap 3.63 kPa 393.41 Calculated Property
Pvap 5.32 kPa 403.56 Calculated Property
Pvap 7.60 kPa 413.70 Calculated Property
Pvap 10.64 kPa 423.85 Calculated Property
Pvap 14.62 kPa 434.00 Calculated Property
Pvap 19.72 kPa 444.14 Calculated Property
Pvap 26.18 kPa 454.29 Calculated Property
Pvap 34.23 kPa 464.44 Calculated Property
Pvap 44.15 kPa 474.58 Calculated Property
Pvap 56.22 kPa 484.73 Calculated Property
Pvap [3.63; 56.22] kPa [393.41; 484.73] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.33955e+01
Coefficient B-3.77956e+03
Coefficient C-8.12040e+01
ReferenceMcDonald, Shrader, et al., 1959
Temperature range, min.393.41
Temperature range, max.484.73
Pvap 3.63 kPa 393.41 Calculated Property
Pvap 5.32 kPa 403.56 Calculated Property
Pvap 7.60 kPa 413.70 Calculated Property
Pvap 10.64 kPa 423.85 Calculated Property
Pvap 14.62 kPa 434.00 Calculated Property
Pvap 19.72 kPa 444.14 Calculated Property
Pvap 26.18 kPa 454.29 Calculated Property
Pvap 34.23 kPa 464.44 Calculated Property
Pvap 44.15 kPa 474.58 Calculated Property
Pvap 56.22 kPa 484.73 Calculated Property
Property Value Unit Temperature (K) Source
ρl [884.16; 445.36] kg/m3 [256.08; 666.21] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A1.26249e+02
Coefficient B3.45470e-01
Coefficient C6.75000e+02
Coefficient D3.87360e-01
Temperature range, min.256.08
Temperature range, max.666.21
ρl 884.16 kg/m3 256.08 Calculated Property
ρl 850.72 kg/m3 301.65 Calculated Property
ρl 816.10 kg/m3 347.22 Calculated Property
ρl 779.98 kg/m3 392.79 Calculated Property
ρl 741.95 kg/m3 438.36 Calculated Property
ρl 701.32 kg/m3 483.93 Calculated Property
ρl 656.99 kg/m3 529.50 Calculated Property
ρl 606.82 kg/m3 575.07 Calculated Property
ρl 545.49 kg/m3 620.64 Calculated Property
ρl 445.36 kg/m3 666.21 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 1.67e-05] N/m [256.08; 665.39] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-1.27100e-02
Coefficient B6.07450e+01
Coefficient C-3.22290e+00
Coefficient D4.95350e-04
Coefficient E-3.52810e-06
CommentRange stopped where the equation turns negative; ChemSep gives it to 666.21 K.
Temperature range, min.256.08
Temperature range, max.665.39
γ 0.03 N/m 256.08 Calculated Property
γ 0.03 N/m 301.56 Calculated Property
γ 0.02 N/m 347.04 Calculated Property
γ 0.02 N/m 392.52 Calculated Property
γ 0.02 N/m 438.00 Calculated Property
γ 0.01 N/m 483.47 Calculated Property
γ 0.01 N/m 528.95 Calculated Property
γ 0.01 N/m 574.43 Calculated Property
γ 0.00 N/m 619.91 Calculated Property
γ 1.67e-05 N/m 665.39 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.01; 0.07] W/m×K [256.08; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A3.15960e-01
Coefficient B-7.40420e-02
Coefficient C-3.18590e+02
Coefficient D1.92860e+06
Temperature range, min.256.08
Temperature range, max.1000.00
λgas 0.01 W/m×K 256.08 Calculated Property
λgas 0.01 W/m×K 338.74 Calculated Property
λgas 0.02 W/m×K 421.40 Calculated Property
λgas 0.03 W/m×K 504.05 Calculated Property
λgas 0.03 W/m×K 586.71 Calculated Property
λgas 0.04 W/m×K 669.37 Calculated Property
λgas 0.05 W/m×K 752.03 Calculated Property
λgas 0.06 W/m×K 834.68 Calculated Property
λgas 0.06 W/m×K 917.34 Calculated Property
λgas 0.07 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.12; 0.08] W/m×K [256.08; 483.65] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λliquid in W/m×K, T in K
Coefficient A-4.34660e-02
Coefficient B-1.47770e+01
Coefficient C-1.47760e+00
Coefficient D-8.00680e-04
Coefficient E-6.90400e-07
Temperature range, min.256.08
Temperature range, max.483.65
λliquid 0.12 W/m×K 256.08 Calculated Property
λliquid 0.12 W/m×K 281.37 Calculated Property
λliquid 0.12 W/m×K 306.65 Calculated Property
λliquid 0.11 W/m×K 331.94 Calculated Property
λliquid 0.11 W/m×K 357.22 Calculated Property
λliquid 0.10 W/m×K 382.51 Calculated Property
λliquid 0.10 W/m×K 407.79 Calculated Property
λliquid 0.09 W/m×K 433.08 Calculated Property
λliquid 0.09 W/m×K 458.36 Calculated Property
λliquid 0.08 W/m×K 483.65 Calculated Property

Similar Compounds

p-Cymene. d14 Cymene. 1-Tert-butyl-4-isopropylbenzene. 4-Isopropylbenzonitrile. Benzene, 1-ethyl-4-(1-methylethyl)-. Benzene, (1-methylethyl)-. Benzaldehyde, 4-(1-methylethyl)-. 4-Isopropylphenylacetonitrile. Ethanone, 1-[4-(1-methylethyl)phenyl]-. Benzene, 1-iodo-4-(1-methylethyl)-. 4-Isopropylbenzyl chloride. Benzene, 1-bromo-4-(1-methylethyl)-. Benzene, 1-chloro-4-(1-methylethyl)-. 4-isopropyl styrene. Benzene, 1,3-bis(1-methylethyl)-.

Find more compounds similar to Benzene, 1,4-bis(1-methylethyl)-.

Sources

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