Chemical Properties of Benzene, 1,4-diethyl- (CAS 105-05-5)

Benzene, 1,4-diethyl-

InChI
InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
InChI Key
DSNHSQKRULAAEI-UHFFFAOYSA-N
Formula
C10H14
SMILES
CCc1ccc(CC)cc1
Molecular Weight1
134.22
CAS
105-05-5
Other Names
  • 1,4-diethylbenzene
  • Benzene, p-diethyl-
  • p-Ethylethylbenzene
  • p-diethylbenzene
  • para-Diethylbenzene
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Physical Properties

Property Value Unit Source
ω [0.4030; 0.4040]   Show Hide
ω 0.4030 ChemSep v8.3 pure component data
ω 0.4040 KDB
ΔcH°liquid [-5863.08; -5862.90] kJ/mol Show Hide
ΔcH°liquid -5863.08 ± 0.79 kJ/mol NIST
ΔcH°liquid -5862.90 ± 1.80 kJ/mol NIST
μ 0.00 debye ChemSep v8.3 pure component data
ΔfG° 138.50 kJ/mol ChemSep v8.3 pure component data
ΔfH°gas -22.30 kJ/mol ChemSep v8.3 pure component data
ΔfH°liquid [-73.10; -72.84] kJ/mol Show Hide
ΔfH°liquid -72.84 ± 0.96 kJ/mol NIST
ΔfH°liquid -73.10 ± 1.80 kJ/mol NIST
ΔfusH° 15.31 kJ/mol Joback Calculated Property
ΔvapH° 52.50 kJ/mol NIST
IE [8.40; 8.43] eV Show Hide
IE 8.40 eV NIST
IE 8.40 eV NIST
IE 8.43 eV NIST
log10WS [-3.75; -3.75]   Show Hide
log10WS -3.75 Aq. Solubility Prediction
log10WS -3.75 Estimated Solubility
logPoct/wat 2.811 Crippen Calculated Property
McVol 128.000 ml/mol McGowan Calculated Property
Pc [2800.00; 2803.00] kPa Show Hide
Pc 2803.00 kPa ChemSep v8.3 pure component data
Pc 2803.00 kPa KDB
Pc 2800.00 ± 40.00 kPa NIST
Pc 2803.00 ± 7.00 kPa NIST
Ptriple 2.13e-04 kPa ChemSep v8.3 pure component data
Inp [1029.00; 1084.00]   Show Hide
Inp 1045.00 NIST
Inp 1038.00 NIST
Inp 1045.25 NIST
Inp 1047.00 NIST
Inp 1046.00 NIST
Inp 1046.00 NIST
Inp 1048.00 NIST
Inp 1040.00 NIST
Inp 1040.00 NIST
Inp 1058.00 NIST
Inp 1042.00 NIST
Inp 1048.00 NIST
Inp 1053.00 NIST
Inp 1059.00 NIST
Inp 1036.80 NIST
Inp 1039.30 NIST
Inp 1047.90 NIST
Inp 1053.40 NIST
Inp 1059.30 NIST
Inp 1037.10 NIST
Inp 1033.80 NIST
Inp 1036.80 NIST
Inp 1039.30 NIST
Inp 1040.00 NIST
Inp 1033.82 NIST
Inp 1032.00 NIST
Inp 1036.70 NIST
Inp 1037.10 NIST
Inp 1039.10 NIST
Inp 1055.00 NIST
Inp 1039.00 NIST
Inp Outlier 1068.00 NIST
Inp 1045.25 NIST
Inp 1042.00 NIST
Inp 1048.00 NIST
Inp 1046.80 NIST
Inp Outlier 1070.10 NIST
Inp 1056.00 NIST
Inp 1040.50 NIST
Inp 1040.66 NIST
Inp 1040.69 NIST
Inp 1041.00 NIST
Inp 1036.00 NIST
Inp 1036.33 NIST
Inp 1039.17 NIST
Inp 1042.04 NIST
Inp 1053.74 NIST
Inp 1057.31 NIST
Inp 1060.01 NIST
Inp 1039.00 NIST
Inp 1044.00 NIST
Inp 1046.00 NIST
Inp 1048.00 NIST
Inp 1053.00 NIST
Inp 1030.00 NIST
Inp 1042.00 NIST
Inp 1048.00 NIST
Inp 1053.00 NIST
Inp 1045.00 NIST
Inp 1045.00 NIST
Inp Outlier 1069.00 NIST
Inp 1051.00 NIST
Inp 1043.00 NIST
Inp 1038.00 NIST
Inp 1029.00 NIST
Inp 1066.00 NIST
Inp 1055.00 NIST
Inp Outlier 1080.00 NIST
Inp 1040.00 NIST
Inp 1040.00 NIST
Inp 1047.00 NIST
Inp 1047.00 NIST
Inp 1040.70 NIST
Inp 1037.00 NIST
Inp 1039.00 NIST
Inp 1041.00 NIST
Inp 1042.00 NIST
Inp 1043.00 NIST
Inp Outlier 1084.00 NIST
Inp 1039.00 NIST
I [1283.60; 1353.00]   Show Hide
I 1305.20 NIST
I 1283.60 NIST
I 1289.40 NIST
I 1283.60 NIST
I 1293.00 NIST
I 1312.00 NIST
I 1320.00 NIST
I 1315.00 NIST
I 1300.00 NIST
I 1305.00 NIST
I 1306.00 NIST
I 1307.00 NIST
I 1284.00 NIST
I Outlier 1353.00 NIST
I 1305.00 NIST
I 1284.00 NIST
I 1305.00 NIST
I 1291.50 NIST
I 1305.20 NIST
I 1307.00 NIST
I Outlier 1353.00 NIST
Tboil [456.00; 457.00] K Show Hide
Tboil 456.90 K ChemSep v8.3 pure component data
Tboil 456.94 K KDB
Tboil 457.00 K NIST
Tboil Outlier 456.00 ± 2.00 K NIST
Tboil 456.80 ± 0.20 K NIST
Tboil 457.00 ± 2.00 K NIST
Tboil 456.75 ± 0.30 K NIST
Tboil 456.90 ± 1.00 K NIST
Tboil 457.00 ± 2.00 K NIST
Tboil 456.75 ± 0.20 K NIST
Tboil 456.90 ± 0.03 K NIST
Tboil Outlier 456.00 ± 2.00 K NIST
Tboil 456.90 ± 0.15 K NIST
Tboil 456.90 ± 0.20 K NIST
Tboil 457.00 ± 0.60 K NIST
Tboil 456.91 ± 0.30 K NIST
Tboil 456.75 ± 0.20 K NIST
Tboil 456.90 ± 0.30 K NIST
Tboil 456.80 ± 0.50 K NIST
Tboil 456.89 ± 0.30 K NIST
Tboil Outlier 456.15 ± 2.00 K NIST
Tc [657.87; 657.90] K Show Hide
Tc 657.90 K ChemSep v8.3 pure component data
Tc 657.90 K KDB
Tc 657.90 ± 0.50 K NIST
Tc 657.89 ± 0.15 K NIST
Tc 657.87 ± 0.03 K NIST
Tfus [229.60; 230.32] K Show Hide
Tfus 230.30 K ChemSep v8.3 pure component data
Tfus 230.32 K KDB
Tfus 230.21 K Aq. Solubility Prediction
Tfus 229.90 ± 0.20 K NIST
Tfus 229.60 ± 0.60 K NIST
Ttriple 230.32 K ChemSep v8.3 pure component data
UQi 4.62 ChemSep v8.3 pure component data
URi 6.01 ChemSep v8.3 pure component data
Vc [0.480; 0.480] m3/kmol Show Hide
Vc 0.480 m3/kmol ChemSep v8.3 pure component data
Vc 0.480 m3/kmol KDB
Zc [0.2462180; 0.2470000]   Show Hide
Zc 0.2470000 ChemSep v8.3 pure component data
Zc 0.2462180 KDB
Zra 0.25 ChemSep v8.3 pure component data

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH [39.37; 45.80] kJ/mol [416.50; 456.90] Show Hide
ΔvapH 45.80 kJ/mol 416.50 NIST
ΔvapH 39.37 kJ/mol 456.90 KDB
n0 1.49245 298.15 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [134.87; 476.45] J/mol×K [200.00; 1500.00] ChemSep v8.3 pure component data Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.17030e+02
Coefficient B-7.55240e+02
Coefficient C6.72924e+00
Coefficient D-3.77090e-04
Coefficient E9.97210e-08
CommentChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.200.00
Temperature range, max.1500.00
Cp,gas 134.87 J/mol×K 200.00 Calculated Property
Cp,gas 200.01 J/mol×K 344.44 Calculated Property
Cp,gas 269.04 J/mol×K 488.89 Calculated Property
Cp,gas 325.11 J/mol×K 633.33 Calculated Property
Cp,gas 367.98 J/mol×K 777.78 Calculated Property
Cp,gas 400.57 J/mol×K 922.22 Calculated Property
Cp,gas 425.75 J/mol×K 1066.67 Calculated Property
Cp,gas 445.76 J/mol×K 1211.11 Calculated Property
Cp,gas 462.25 J/mol×K 1355.56 Calculated Property
Cp,gas 476.45 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [204.00; 322.35] J/mol×K [230.32; 456.94] ChemSep v8.3 pure component data Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A4.27170e+01
Coefficient B-1.41380e+01
Coefficient C4.19824e+00
Coefficient D5.02340e-03
Coefficient E-3.97150e-06
CommentChemSep eq 16, LiquidHeatCapacityCp
Temperature range, min.230.32
Temperature range, max.456.94
Cp,liquid 204.00 J/mol×K 230.32 Calculated Property
Cp,liquid 218.13 J/mol×K 255.50 Calculated Property
Cp,liquid 232.33 J/mol×K 280.68 Calculated Property
Cp,liquid 246.48 J/mol×K 305.86 Calculated Property
Cp,liquid 260.45 J/mol×K 331.04 Calculated Property
Cp,liquid 274.09 J/mol×K 356.22 Calculated Property
Cp,liquid 287.26 J/mol×K 381.40 Calculated Property
Cp,liquid 299.79 J/mol×K 406.58 Calculated Property
Cp,liquid 311.54 J/mol×K 431.76 Calculated Property
Cp,liquid 322.35 J/mol×K 456.94 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0036095; 0.0001321] Pa×s [230.32; 550.00] ChemSep v8.3 pure component data Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.17660e+01
Coefficient B1.32230e+03
Coefficient C7.50760e-02
Coefficient D-1.45180e-07
Coefficient E2.00000e+00
CommentChemSep eq 101, LiquidViscosity
Temperature range, min.230.32
Temperature range, max.550.00
η 0.0036095 Pa×s 230.32 Calculated Property
η 0.0016899 Pa×s 265.84 Calculated Property
η 0.0009464 Pa×s 301.36 Calculated Property
η 0.0005989 Pa×s 336.88 Calculated Property
η 0.0004135 Pa×s 372.40 Calculated Property
η 0.0003044 Pa×s 407.92 Calculated Property
η 0.0002352 Pa×s 443.44 Calculated Property
η 0.0001887 Pa×s 478.96 Calculated Property
η 0.0001560 Pa×s 514.48 Calculated Property
η 0.0001321 Pa×s 550.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [56.81; 0.00] kJ/mol [230.32; 657.90] ChemSep v8.3 pure component data 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 A5.46871e+01
Coefficient B-1.55122e+00
Coefficient C6.62184e+00
Coefficient D-8.19960e+00
Coefficient E3.48631e+00
Critical temperature, Tc (K)6.57900e+02
CommentChemSep eq 106, HeatOfVaporization
Temperature range, min.230.32
Temperature range, max.657.90
ΔvapH 56.81 kJ/mol 230.32 Calculated Property
ΔvapH 53.34 kJ/mol 277.83 Calculated Property
ΔvapH 49.71 kJ/mol 325.34 Calculated Property
ΔvapH 46.16 kJ/mol 372.85 Calculated Property
ΔvapH 42.75 kJ/mol 420.36 Calculated Property
ΔvapH 39.35 kJ/mol 467.86 Calculated Property
ΔvapH 35.62 kJ/mol 515.37 Calculated Property
ΔvapH 30.87 kJ/mol 562.88 Calculated Property
ΔvapH 23.67 kJ/mol 610.39 Calculated Property
ΔvapH 0.00 kJ/mol 657.90 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [335.02; 487.02] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.45880e+01
Coefficient B-4.01384e+03
Coefficient C-5.43350e+01
Temperature range, min.335.02
Temperature range, max.487.02
Pvap 1.33 kPa 335.02 Calculated Property
Pvap 3.00 kPa 351.91 Calculated Property
Pvap 6.20 kPa 368.80 Calculated Property
Pvap 11.88 kPa 385.69 Calculated Property
Pvap 21.37 kPa 402.58 Calculated Property
Pvap 36.42 kPa 419.46 Calculated Property
Pvap 59.21 kPa 436.35 Calculated Property
Pvap 92.38 kPa 453.24 Calculated Property
Pvap 139.02 kPa 470.13 Calculated Property
Pvap 202.64 kPa 487.02 Calculated Property
Pvap [2.04e-04; 2817.26] kPa [230.32; 657.90] ChemSep v8.3 pure component data Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A1.01832e+02
Coefficient B-9.63670e+03
Coefficient C-1.26560e+01
Coefficient D6.66400e-06
Coefficient E2.00000e+00
CommentChemSep eq 101, VaporPressure
Temperature range, min.230.32
Temperature range, max.657.90
Pvap 2.04e-04 kPa 230.32 Calculated Property
Pvap 0.03 kPa 277.83 Calculated Property
Pvap 0.74 kPa 325.34 Calculated Property
Pvap 7.20 kPa 372.85 Calculated Property
Pvap 37.66 kPa 420.36 Calculated Property
Pvap 131.95 kPa 467.86 Calculated Property
Pvap 353.70 kPa 515.37 Calculated Property
Pvap 789.99 kPa 562.88 Calculated Property
Pvap 1556.98 kPa 610.39 Calculated Property
Pvap 2817.26 kPa 657.90 Calculated Property
Pvap [2.62e-04; 2723.59] kPa [230.32; 657.96] 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 A8.43431e+01
Coefficient B-8.82443e+03
Coefficient C-1.00236e+01
Coefficient D4.67268e-06
Coefficient E0.00000e+00
Temperature range, min.230.32
Temperature range, max.657.96
Pvap 2.62e-04 kPa 230.32 Calculated Property
Pvap 0.03 kPa 277.84 Calculated Property
Pvap 0.76 kPa 325.35 Calculated Property
Pvap 7.20 kPa 372.87 Calculated Property
Pvap 37.46 kPa 420.38 Calculated Property
Pvap 131.48 kPa 467.90 Calculated Property
Pvap 352.97 kPa 515.41 Calculated Property
Pvap 786.06 kPa 562.93 Calculated Property
Pvap 1533.77 kPa 610.44 Calculated Property
Pvap 2723.59 kPa 657.96 Calculated Property
Pvap [6.42; 104.01] kPa [369.97; 457.97] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.41043e+01
Coefficient B-3.65944e+03
Coefficient C-7.11310e+01
ReferenceForziati, Norris, et al., 1949, 2
Temperature range, min.369.97
Temperature range, max.457.97
Pvap 6.42 kPa 369.97 Calculated Property
Pvap 9.46 kPa 379.75 Calculated Property
Pvap 13.61 kPa 389.53 Calculated Property
Pvap 19.17 kPa 399.30 Calculated Property
Pvap 26.47 kPa 409.08 Calculated Property
Pvap 35.89 kPa 418.86 Calculated Property
Pvap 47.86 kPa 428.64 Calculated Property
Pvap 62.85 kPa 438.41 Calculated Property
Pvap 81.39 kPa 448.19 Calculated Property
Pvap 104.01 kPa 457.97 Calculated Property
Pvap [6.42; 104.01] kPa [369.97; 457.97] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.41043e+01
Coefficient B-3.65944e+03
Coefficient C-7.11310e+01
ReferenceForziati, Norris, et al., 1949
Temperature range, min.369.97
Temperature range, max.457.97
Pvap 6.42 kPa 369.97 Calculated Property
Pvap 9.46 kPa 379.75 Calculated Property
Pvap 13.61 kPa 389.53 Calculated Property
Pvap 19.17 kPa 399.30 Calculated Property
Pvap 26.47 kPa 409.08 Calculated Property
Pvap 35.89 kPa 418.86 Calculated Property
Pvap 47.86 kPa 428.64 Calculated Property
Pvap 62.85 kPa 438.41 Calculated Property
Pvap 81.39 kPa 448.19 Calculated Property
Pvap 104.01 kPa 457.97 Calculated Property
Property Value Unit Temperature (K) Source
ρl [910.26; 268.56] kg/m3 [230.32; 657.90] ChemSep v8.3 pure component data Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A6.74299e+01
Coefficient B2.51080e-01
Coefficient C6.57900e+02
Coefficient D2.88060e-01
CommentChemSep eq 105, LiquidDensity
Temperature range, min.230.32
Temperature range, max.657.90
ρl 910.26 kg/m3 230.32 Calculated Property
ρl 873.94 kg/m3 277.83 Calculated Property
ρl 835.88 kg/m3 325.34 Calculated Property
ρl 795.66 kg/m3 372.85 Calculated Property
ρl 752.65 kg/m3 420.36 Calculated Property
ρl 705.88 kg/m3 467.86 Calculated Property
ρl 653.66 kg/m3 515.37 Calculated Property
ρl 592.61 kg/m3 562.88 Calculated Property
ρl 513.52 kg/m3 610.39 Calculated Property
ρl 268.56 kg/m3 657.90 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 1.40e-06] N/m [230.32; 649.35] ChemSep v8.3 pure component data Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-5.93650e-02
Coefficient B-4.96800e+01
Coefficient C-1.63760e+00
Coefficient D-2.43850e-03
Coefficient E1.12300e-06
CommentChemSep eq 16, SurfaceTension, ChemSep Tmax 657.9 K
Temperature range, min.230.32
Temperature range, max.649.35
γ 0.04 N/m 230.32 Calculated Property
γ 0.03 N/m 276.88 Calculated Property
γ 0.03 N/m 323.44 Calculated Property
γ 0.02 N/m 370.00 Calculated Property
γ 0.02 N/m 416.55 Calculated Property
γ 0.01 N/m 463.11 Calculated Property
γ 0.01 N/m 509.67 Calculated Property
γ 0.01 N/m 556.23 Calculated Property
γ 0.00 N/m 602.79 Calculated Property
γ 1.40e-06 N/m 649.35 Calculated Property
Property Value Unit Temperature (K) Source
λ [0.01; 0.07] W/m×K [230.32; 1000.00] ChemSep v8.3 pure component data Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λ in W/m×K, T in K
Coefficient A2.39560e-05
Coefficient B1.19690e+00
Coefficient C2.13510e+02
Coefficient D4.81270e+04
CommentChemSep eq 102, VaporThermalConductivity
Temperature range, min.230.32
Temperature range, max.1000.00
λ 0.01 W/m×K 230.32 Calculated Property
λ 0.01 W/m×K 315.84 Calculated Property
λ 0.02 W/m×K 401.36 Calculated Property
λ 0.02 W/m×K 486.88 Calculated Property
λ 0.03 W/m×K 572.40 Calculated Property
λ 0.04 W/m×K 657.92 Calculated Property
λ 0.05 W/m×K 743.44 Calculated Property
λ 0.06 W/m×K 828.96 Calculated Property
λ 0.06 W/m×K 914.48 Calculated Property
λ 0.07 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λ [0.14; 0.09] W/m×K [230.32; 456.94] ChemSep v8.3 pure component data Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λ in W/m×K, T in K
Coefficient A-5.43230e-02
Coefficient B-5.91430e+00
Coefficient C-1.44130e+00
Coefficient D-6.50590e-04
Coefficient E-8.32550e-07
CommentChemSep eq 16, LiquidThermalConductivity
Temperature range, min.230.32
Temperature range, max.456.94
λ 0.14 W/m×K 230.32 Calculated Property
λ 0.13 W/m×K 255.50 Calculated Property
λ 0.13 W/m×K 280.68 Calculated Property
λ 0.12 W/m×K 305.86 Calculated Property
λ 0.12 W/m×K 331.04 Calculated Property
λ 0.11 W/m×K 356.22 Calculated Property
λ 0.11 W/m×K 381.40 Calculated Property
λ 0.10 W/m×K 406.58 Calculated Property
λ 0.10 W/m×K 431.76 Calculated Property
λ 0.09 W/m×K 456.94 Calculated Property

Similar Compounds

Benzene, 1-ethyl-4-methyl-. 4-Ethylphenylacetonitrile. Ethylbenzene-d10. Benzene, ethyl-. Benzaldehyde, 4-ethyl-. p-Ethylbenzylchloride. 4-ethylbenzaldehyde. Benzene, 1-ethyl-4-(1-methylethyl)-. Ethanone, 1-(4-ethylphenyl)-. 1-Ethyl-4-iodobenzene. Benzene, 1-bromo-4-ethyl-. Benzene, 1-(1,1-dimethylethyl)-4-ethyl-. Benzeneacetaldehyde, 4-methyl-. Benzene, 1-chloro-4-ethyl-. Benzene, 1-ethenyl-4-ethyl-.

Find more compounds similar to Benzene, 1,4-diethyl-.

Mixtures

Sources

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