Chemical Properties of Benzene, 1,2-diethyl- (CAS 135-01-3)

Benzene, 1,2-diethyl-

InChI
InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3
InChI Key
KVNYFPKFSJIPBJ-UHFFFAOYSA-N
Formula
C10H14
SMILES
CCc1ccccc1CC
Molecular Weight1
134.22
CAS
135-01-3
Other Names
  • 1,2-DiethyIbenzene
  • 1,2-Diethylbenzene
  • Benzene, o-diethyl-
  • o-Diethylbenzene
  • ortho-Diethylbenzene
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Physical Properties

Property Value Unit Source
ω [0.3540; 0.3879]   Show Hide
ω 0.3879 ChemSep v8.3 pure component data Compiled value
ω 0.3540 KDB
ΔcH°liquid [-5867.43; -5865.10] kJ/mol Show Hide
ΔcH°liquid -5867.43 ± 0.88 kJ/mol NIST
ΔcH°liquid -5865.10 ± 1.80 kJ/mol NIST
μ 0.59 debye ChemSep v8.3 pure component data Compiled value
ΔfG° 141.08 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -18.95 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°liquid [-70.90; -68.50] kJ/mol Show Hide
ΔfH°liquid -68.50 ± 1.00 kJ/mol NIST
ΔfH°liquid -70.90 ± 1.80 kJ/mol NIST
ΔfusH° 15.31 kJ/mol Joback Calculated Property
ΔvapH° 52.80 kJ/mol NIST
IE [8.51; 8.51] eV Show Hide
IE 8.51 eV NIST
IE 8.51 eV NIST
log10WS [-3.28; -3.28]   Show Hide
log10WS -3.28 Aq. Solubility Prediction
log10WS -3.28 Estimated Solubility
logPoct/wat 2.811 Crippen Calculated Property
McVol 128.000 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 2 KDB
Pc [2880.00; 2990.00] kPa Show Hide
Pc 2880.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 2990.00 kPa KDB
Ptriple 1.04e-03 kPa ChemSep v8.3 pure component data Compiled value
Inp [1023.00; 1088.00]   Show Hide
Inp 1041.00 NIST
Inp 1041.00 NIST
Inp 1051.80 NIST
Inp 1057.90 NIST
Inp 1051.00 NIST
Inp 1051.00 NIST
Inp 1039.00 NIST
Inp 1043.50 NIST
Inp 1064.00 NIST
Inp 1047.00 NIST
Inp 1053.00 NIST
Inp 1059.00 NIST
Inp 1066.00 NIST
Inp 1034.80 NIST
Inp 1038.10 NIST
Inp 1052.70 NIST
Inp 1058.90 NIST
Inp 1065.90 NIST
Inp 1042.70 NIST
Inp 1033.00 NIST
Inp 1034.80 NIST
Inp 1038.10 NIST
Inp 1046.00 NIST
Inp 1042.70 NIST
Inp 1039.10 NIST
Inp 1043.60 NIST
Inp 1036.00 NIST
Inp 1067.00 NIST
Inp 1051.70 NIST
Inp 1048.00 NIST
Inp 1048.00 NIST
Inp 1049.00 NIST
Inp 1056.00 NIST
Inp 1056.70 NIST
Inp 1055.00 NIST
Inp 1043.30 NIST
Inp 1047.00 NIST
Inp 1044.00 NIST
Inp 1044.00 NIST
Inp 1059.00 NIST
Inp 1050.00 NIST
Inp 1053.00 NIST
Inp 1053.00 NIST
Inp 1059.00 NIST
Inp 1059.00 NIST
Inp 1029.00 NIST
Inp 1048.00 NIST
Inp 1057.00 NIST
Inp 1053.00 NIST
Inp 1052.00 NIST
Inp 1052.00 NIST
Inp 1068.80 NIST
Inp 1042.00 NIST
Inp 1042.00 NIST
Inp 1035.00 NIST
Inp 1057.00 NIST
Inp Outlier 1088.00 NIST
Inp 1044.00 NIST
Inp Outlier 1023.00 NIST
Inp 1044.00 NIST
Inp 1052.00 NIST
Inp 1051.00 NIST
Inp 1051.00 NIST
Inp 1051.50 NIST
Inp 1058.70 NIST
Inp 1055.80 NIST
Inp 1057.20 NIST
Inp 1039.30 NIST
Inp 1043.00 NIST
Inp 1053.00 NIST
Inp 1042.00 NIST
Ip [1285.00; 1379.00]   Show Hide
Ip 1285.00 NIST
Ip 1289.00 NIST
Ip 1324.00 NIST
Ip 1298.80 NIST
Ip 1298.80 NIST
Ip 1305.00 NIST
Ip 1335.00 NIST
Ip 1337.00 NIST
Ip 1350.00 NIST
Ip 1363.00 NIST
Ip Outlier 1379.00 NIST
Ip 1324.00 NIST
Ip 1299.00 NIST
Ip 1372.00 NIST
Ip 1324.00 NIST
Ip 1299.00 NIST
Ip 1324.00 NIST
Ip 1308.50 NIST
Tboil [449.70; 457.40] K Show Hide
Tboil 456.57 K ChemSep v8.3 pure component data Compiled value
Tboil 457.00 K KDB
Tboil 456.70 K NIST
Tboil 456.00 ± 2.00 K NIST
Tboil 456.45 ± 0.20 K NIST
Tboil 456.45 ± 0.20 K NIST
Tboil 456.57 ± 0.03 K NIST
Tboil 456.45 ± 0.30 K NIST
Tboil 456.90 ± 2.00 K NIST
Tboil Outlier 449.70 ± 1.00 K NIST
Tboil 454.35 ± 0.30 K NIST
Tboil 456.70 ± 0.50 K NIST
Tboil 456.45 ± 0.30 K NIST
Tboil 457.40 ± 1.00 K NIST
Tboil 456.00 ± 2.00 K NIST
Tboil Outlier 450.00 ± 7.00 K NIST
Tboil 457.00 ± 2.00 K NIST
Tc [668.00; 669.60] K Show Hide
Tc 668.00 K ChemSep v8.3 pure component data Compiled value
Tc 669.60 K KDB
Tfus [241.71; 242.15] K Show Hide
Tfus 242.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 241.91 K ChemSep v8.3 pure component data Compiled value
Tfus 242.00 K KDB
Tfus 242.08 K Aq. Solubility Prediction
Tfus 241.71 ± 0.20 K NIST
Ttriple 241.93 K ChemSep v8.3 pure component data Compiled value
UQi 4.62 ChemSep v8.3 pure component data Compiled value
URi 6.01 ChemSep v8.3 pure component data Compiled value
Vc [0.487; 0.502] m3/kmol Show Hide
Vc 0.502 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.487 m3/kmol KDB
Zc [0.2600000; 0.2618150]   Show Hide
Zc 0.2600000 ChemSep v8.3 pure component data Compiled value
Zc 0.2618150 KDB
Zra 0.26 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH [39.41; 46.00] kJ/mol [416.50; 457.00] Show Hide
ΔvapH 46.00 kJ/mol 416.50 NIST
ΔvapH 39.41 kJ/mol 457.00 KDB
n0 1.50106 298.15 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [141.46; 476.56] J/mol×K [200.00; 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 A1.22330e+02
Coefficient B-7.23390e+02
Coefficient C6.62324e+00
Coefficient D-2.89530e-04
Coefficient E7.25620e-08
Temperature range, min.200.00
Temperature range, max.1500.00
Cp,gas 141.46 J/mol×K 200.00 Calculated Property
Cp,gas 206.43 J/mol×K 344.44 Calculated Property
Cp,gas 273.65 J/mol×K 488.89 Calculated Property
Cp,gas 328.11 J/mol×K 633.33 Calculated Property
Cp,gas 369.95 J/mol×K 777.78 Calculated Property
Cp,gas 401.98 J/mol×K 922.22 Calculated Property
Cp,gas 426.87 J/mol×K 1066.67 Calculated Property
Cp,gas 446.65 J/mol×K 1211.11 Calculated Property
Cp,gas 462.84 J/mol×K 1355.56 Calculated Property
Cp,gas 476.56 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [211.33; 320.85] J/mol×K [241.93; 456.61] 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 A1.37310e+01
Coefficient B7.92270e+00
Coefficient C4.32924e+00
Coefficient D4.71800e-03
Coefficient E-3.71060e-06
Temperature range, min.241.93
Temperature range, max.456.61
Cp,liquid 211.33 J/mol×K 241.93 Calculated Property
Cp,liquid 224.53 J/mol×K 265.78 Calculated Property
Cp,liquid 237.77 J/mol×K 289.64 Calculated Property
Cp,liquid 250.93 J/mol×K 313.49 Calculated Property
Cp,liquid 263.88 J/mol×K 337.34 Calculated Property
Cp,liquid 276.48 J/mol×K 361.20 Calculated Property
Cp,liquid 288.61 J/mol×K 385.05 Calculated Property
Cp,liquid 300.14 J/mol×K 408.90 Calculated Property
Cp,liquid 310.92 J/mol×K 432.76 Calculated Property
Cp,liquid 320.85 J/mol×K 456.61 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0037987; 0.0001057] Pa×s [241.93; 550.00] 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-1.39710e+01
Coefficient B1.60870e+03
Coefficient C3.23950e-01
Coefficient D-5.05330e-07
Coefficient E2.00000e+00
Temperature range, min.241.93
Temperature range, max.550.00
η 0.0037987 Pa×s 241.93 Calculated Property
η 0.0017235 Pa×s 276.16 Calculated Property
η 0.0009321 Pa×s 310.39 Calculated Property
η 0.0005697 Pa×s 344.62 Calculated Property
η 0.0003805 Pa×s 378.85 Calculated Property
η 0.0002715 Pa×s 413.08 Calculated Property
η 0.0002038 Pa×s 447.31 Calculated Property
η 0.0001590 Pa×s 481.54 Calculated Property
η 0.0001280 Pa×s 515.77 Calculated Property
η 0.0001057 Pa×s 550.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [53.80; 15.98] kJ/mol [241.93; 645.58] 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 A4.48270e+01
Coefficient B-1.90730e+00
Coefficient C6.12950e+00
Coefficient D-6.37720e+00
Coefficient E2.48570e+00
Critical temperature, Tc (K)6.68000e+02
Temperature range, min.241.93
Temperature range, max.645.58
ΔvapH 53.80 kJ/mol 241.93 Calculated Property
ΔvapH 51.71 kJ/mol 286.78 Calculated Property
ΔvapH 49.07 kJ/mol 331.63 Calculated Property
ΔvapH 46.09 kJ/mol 376.48 Calculated Property
ΔvapH 42.84 kJ/mol 421.33 Calculated Property
ΔvapH 39.33 kJ/mol 466.18 Calculated Property
ΔvapH 35.43 kJ/mol 511.03 Calculated Property
ΔvapH 30.83 kJ/mol 555.88 Calculated Property
ΔvapH 24.95 kJ/mol 600.73 Calculated Property
ΔvapH 15.98 kJ/mol 645.58 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [334.02; 487.32] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.42021e+01
Coefficient B-3.77470e+03
Coefficient C-6.27460e+01
Temperature range, min.334.02
Temperature range, max.487.32
Pvap 1.33 kPa 334.02 Calculated Property
Pvap 3.03 kPa 351.05 Calculated Property
Pvap 6.30 kPa 368.09 Calculated Property
Pvap 12.10 kPa 385.12 Calculated Property
Pvap 21.77 kPa 402.15 Calculated Property
Pvap 37.04 kPa 419.19 Calculated Property
Pvap 60.05 kPa 436.22 Calculated Property
Pvap 93.31 kPa 453.25 Calculated Property
Pvap 139.77 kPa 470.29 Calculated Property
Pvap 202.66 kPa 487.32 Calculated Property
Pvap [7.32e-04; 2880.00] kPa [241.93; 646.05] 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 A1.29277e+02
Coefficient B-1.07608e+04
Coefficient C-1.68823e+01
Coefficient D1.09939e-05
Coefficient E2.00000e+00
CommentRange stopped where the equation exceeds Pc; ChemSep gives it to 668 K.
Temperature range, min.241.93
Temperature range, max.646.05
Pvap 7.32e-04 kPa 241.93 Calculated Property
Pvap 0.06 kPa 286.83 Calculated Property
Pvap 1.06 kPa 331.73 Calculated Property
Pvap 8.43 kPa 376.64 Calculated Property
Pvap 39.15 kPa 421.54 Calculated Property
Pvap 128.31 kPa 466.44 Calculated Property
Pvap 334.06 kPa 511.34 Calculated Property
Pvap 747.05 kPa 556.25 Calculated Property
Pvap 1513.04 kPa 601.15 Calculated Property
Pvap 2880.00 kPa 646.05 Calculated Property
Pvap [1.03e-03; 2825.37] kPa [241.93; 668.00] 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 A7.81349e+01
Coefficient B-8.61176e+03
Coefficient C-9.03986e+00
Coefficient D3.36428e-06
Coefficient E0.00000e+00
Temperature range, min.241.93
Temperature range, max.668.00
Pvap 1.03e-03 kPa 241.93 Calculated Property
Pvap 0.08 kPa 289.27 Calculated Property
Pvap 1.39 kPa 336.61 Calculated Property
Pvap 11.13 kPa 383.95 Calculated Property
Pvap 51.96 kPa 431.29 Calculated Property
Pvap 168.83 kPa 478.64 Calculated Property
Pvap 426.53 kPa 525.98 Calculated Property
Pvap 901.13 kPa 573.32 Calculated Property
Pvap 1672.89 kPa 620.66 Calculated Property
Pvap 2825.37 kPa 668.00 Calculated Property
Pvap [6.42; 104.02] kPa [369.88; 457.64] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.40804e+01
Coefficient B-3.63324e+03
Coefficient C-7.25960e+01
ReferenceForziati, Norris, et al., 1949, 2
Temperature range, min.369.88
Temperature range, max.457.64
Pvap 6.42 kPa 369.88 Calculated Property
Pvap 9.46 kPa 379.63 Calculated Property
Pvap 13.62 kPa 389.38 Calculated Property
Pvap 19.18 kPa 399.13 Calculated Property
Pvap 26.48 kPa 408.88 Calculated Property
Pvap 35.91 kPa 418.64 Calculated Property
Pvap 47.88 kPa 428.39 Calculated Property
Pvap 62.87 kPa 438.14 Calculated Property
Pvap 81.40 kPa 447.89 Calculated Property
Pvap 104.02 kPa 457.64 Calculated Property
Pvap [6.42; 104.02] kPa [369.88; 457.64] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.40804e+01
Coefficient B-3.63324e+03
Coefficient C-7.25960e+01
ReferenceForziati, Norris, et al., 1949
Temperature range, min.369.88
Temperature range, max.457.64
Pvap 6.42 kPa 369.88 Calculated Property
Pvap 9.46 kPa 379.63 Calculated Property
Pvap 13.62 kPa 389.38 Calculated Property
Pvap 19.18 kPa 399.13 Calculated Property
Pvap 26.48 kPa 408.88 Calculated Property
Pvap 35.91 kPa 418.64 Calculated Property
Pvap 47.88 kPa 428.39 Calculated Property
Pvap 62.87 kPa 438.14 Calculated Property
Pvap 81.40 kPa 447.89 Calculated Property
Pvap 104.02 kPa 457.64 Calculated Property
Property Value Unit Temperature (K) Source
ρl [918.83; 462.27] kg/m3 [241.93; 645.58] 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 A6.99089e+01
Coefficient B2.53890e-01
Coefficient C6.68000e+02
Coefficient D2.86660e-01
Temperature range, min.241.93
Temperature range, max.645.58
ρl 918.83 kg/m3 241.93 Calculated Property
ρl 884.74 kg/m3 286.78 Calculated Property
ρl 849.08 kg/m3 331.63 Calculated Property
ρl 811.50 kg/m3 376.48 Calculated Property
ρl 771.51 kg/m3 421.33 Calculated Property
ρl 728.33 kg/m3 466.18 Calculated Property
ρl 680.71 kg/m3 511.03 Calculated Property
ρl 626.35 kg/m3 555.88 Calculated Property
ρl 560.01 kg/m3 600.73 Calculated Property
ρl 462.27 kg/m3 645.58 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 5.53e-04] N/m [241.93; 645.58] 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-9.38070e-02
Coefficient B-2.72320e+01
Coefficient C-1.59350e+00
Coefficient D-1.56450e-03
Coefficient E6.83950e-07
Temperature range, min.241.93
Temperature range, max.645.58
γ 0.04 N/m 241.93 Calculated Property
γ 0.03 N/m 286.78 Calculated Property
γ 0.03 N/m 331.63 Calculated Property
γ 0.02 N/m 376.48 Calculated Property
γ 0.02 N/m 421.33 Calculated Property
γ 0.01 N/m 466.18 Calculated Property
γ 0.01 N/m 511.03 Calculated Property
γ 0.01 N/m 555.88 Calculated Property
γ 0.00 N/m 600.73 Calculated Property
γ 5.53e-04 N/m 645.58 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.01; 0.07] W/m×K [241.93; 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 A8.78510e-05
Coefficient B1.03970e+00
Coefficient C5.05400e+02
Coefficient D4.74660e+04
Temperature range, min.241.93
Temperature range, max.1000.00
λgas 0.01 W/m×K 241.93 Calculated Property
λgas 0.01 W/m×K 326.16 Calculated Property
λgas 0.02 W/m×K 410.39 Calculated Property
λgas 0.03 W/m×K 494.62 Calculated Property
λgas 0.03 W/m×K 578.85 Calculated Property
λgas 0.04 W/m×K 663.08 Calculated Property
λgas 0.05 W/m×K 747.31 Calculated Property
λgas 0.06 W/m×K 831.54 Calculated Property
λgas 0.07 W/m×K 915.77 Calculated Property
λgas 0.07 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.14; 0.09] W/m×K [241.93; 456.61] 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-4.72180e-02
Coefficient B-1.10730e+01
Coefficient C-1.41890e+00
Coefficient D-7.77870e-04
Coefficient E-7.52520e-07
Temperature range, min.241.93
Temperature range, max.456.61
λliquid 0.14 W/m×K 241.93 Calculated Property
λliquid 0.13 W/m×K 265.78 Calculated Property
λliquid 0.13 W/m×K 289.64 Calculated Property
λliquid 0.12 W/m×K 313.49 Calculated Property
λliquid 0.12 W/m×K 337.34 Calculated Property
λliquid 0.11 W/m×K 361.20 Calculated Property
λliquid 0.11 W/m×K 385.05 Calculated Property
λliquid 0.10 W/m×K 408.90 Calculated Property
λliquid 0.10 W/m×K 432.76 Calculated Property
λliquid 0.09 W/m×K 456.61 Calculated Property

Similar Compounds

Benzene, 1-ethyl-2-methyl-. Benzene, 1,2,3-triethyl. Benzene, 2,3-diethyl-1-methyl. Benzene, 1,2-diethyl-4-methyl-. Benzene, 1,2,4-triethyl-. Benzene, 1-ethyl-2,4-dimethyl-. Benzene, 1-ethyl-2,3-dimethyl-. Benzene, 1,3-diethyl-2-methyl-. Benzene, 2-ethyl-1,4-dimethyl-. 1,2,3,4-tetraethylbenzene. 1,3-Diethyl-4-methylbenzene. 1-Ethyl-2-isopropylbenzene. Benzene, 1,2-diethyl-3,4-dimethyl-. Benzene, 1,4-diethyl-2-methyl-. Naphthalene, 1,2-diethyl-.

Find more compounds similar to Benzene, 1,2-diethyl-.

Sources

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