Chemical Properties of Benzene, 1-methyl-3-propyl- (CAS 1074-43-7)

Benzene, 1-methyl-3-propyl-

InChI
InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
InChI Key
QUEBYVKXYIKVSO-UHFFFAOYSA-N
Formula
C10H14
SMILES
CCCc1cccc(C)c1
Molecular Weight1
134.22
CAS
1074-43-7
Other Names
  • 1-Methyl-3-n-propylbenzene
  • 1-Methyl-3-propylbenzene
  • 3-Propyl-toluene
  • 3-n-Propyltoluene
  • M-METHYLPROPYLBENZENE
  • Toluene, m-propyl-
  • m-Propyltoluene
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Physical Properties

Property Value Unit Source
ω [0.4120; 0.4128]   Show Hide
ω 0.4128 ChemSep v8.3 pure component data Compiled value
ω 0.4120 KDB
ΔcH°liquid [-5860.60; -5859.70] kJ/mol Show Hide
ΔcH°liquid -5859.70 ± 1.10 kJ/mol NIST
ΔcH°liquid -5860.60 ± 2.20 kJ/mol NIST
μ 0.12 debye ChemSep v8.3 pure component data Compiled value
ΔfG° 135.20 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -24.14 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°liquid [-76.20; -75.40] kJ/mol Show Hide
ΔfH°liquid -76.20 ± 1.20 kJ/mol NIST
ΔfH°liquid -75.40 ± 2.20 kJ/mol NIST
ΔfusH° 15.31 kJ/mol Joback Calculated Property
ΔvapH° 52.10 kJ/mol NIST
IE 8.46 eV Relay (1.0) Calculated Property
log10WS -3.59 Relay (1.0) Calculated Property
logPoct/wat 2.948 Crippen Calculated Property
McVol 128.000 ml/mol McGowan Calculated Property
Pc [2860.00; 2904.00] kPa Show Hide
Pc 2860.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 2904.00 kPa KDB
Ptriple 7.21e-07 kPa ChemSep v8.3 pure component data Compiled value
Inp [1003.00; 1066.00]   Show Hide
Inp 1040.60 NIST
Inp 1032.00 NIST
Inp 1032.00 NIST
Inp 1042.00 NIST
Inp 1042.00 NIST
Inp 1042.00 NIST
Inp 1042.00 NIST
Inp 1043.00 NIST
Inp 1043.00 NIST
Inp 1034.00 NIST
Inp 1034.80 NIST
Inp 1043.00 NIST
Inp 1048.00 NIST
Inp 1054.00 NIST
Inp 1030.40 NIST
Inp 1032.80 NIST
Inp 1043.40 NIST
Inp 1048.20 NIST
Inp 1054.40 NIST
Inp 1031.60 NIST
Inp 1027.80 NIST
Inp 1030.40 NIST
Inp 1032.80 NIST
Inp 1027.78 NIST
Inp 1051.00 NIST
Inp 1056.00 NIST
Inp 1059.00 NIST
Inp 1057.00 NIST
Inp 1060.00 NIST
Inp 1062.00 NIST
Inp 1063.00 NIST
Inp Outlier 1066.00 NIST
Inp 1032.00 NIST
Inp 1031.60 NIST
Inp 1033.40 NIST
Inp 1033.00 NIST
Inp 1037.00 NIST
Inp 1037.10 NIST
Inp 1030.50 NIST
Inp Outlier 1065.30 NIST
Inp 1036.00 NIST
Inp 1060.00 NIST
Inp 1042.50 NIST
Inp 1042.00 NIST
Inp 1036.00 NIST
Inp 1041.00 NIST
Inp 1052.00 NIST
Inp 1042.90 NIST
Inp 1058.20 NIST
Inp 1036.50 NIST
Inp 1034.50 NIST
Inp 1037.50 NIST
Inp 1037.00 NIST
Inp 1037.02 NIST
Inp 1037.76 NIST
Inp 1038.00 NIST
Inp 1037.58 NIST
Inp 1036.00 NIST
Inp 1057.61 NIST
Inp 1043.00 NIST
Inp 1054.00 NIST
Inp 1043.00 NIST
Inp 1043.00 NIST
Inp 1048.00 NIST
Inp 1048.00 NIST
Inp 1024.00 NIST
Inp 1036.00 NIST
Inp 1041.00 NIST
Inp Outlier 1003.00 NIST
Inp 1042.00 NIST
Inp 1049.00 NIST
Inp 1042.00 NIST
Inp 1051.00 NIST
Inp 1054.00 NIST
Inp 1044.00 NIST
Inp 1039.00 NIST
Inp 1058.10 NIST
Inp 1039.00 NIST
Inp 1034.00 NIST
Inp 1036.00 NIST
Inp 1042.00 NIST
Inp 1055.00 NIST
Inp 1059.00 NIST
Inp 1049.00 NIST
Inp 1035.00 NIST
Inp 1043.00 NIST
Inp 1035.00 NIST
Inp 1042.00 NIST
Inp 1043.00 NIST
Inp 1042.00 NIST
Inp 1042.00 NIST
Inp 1034.00 NIST
Inp 1032.00 NIST
Inp 1052.00 NIST
Inp 1037.50 NIST
Inp 1037.58 NIST
Inp Outlier 1003.00 NIST
Inp 1054.00 NIST
Inp 1034.00 NIST
Inp 1042.50 NIST
Ip [1259.00; 1354.00]   Show Hide
Ip 1259.00 NIST
Ip 1262.00 NIST
Ip 1301.00 NIST
Ip 1277.20 NIST
Ip 1277.20 NIST
Ip 1297.00 NIST
Ip 1314.00 NIST
Ip 1315.00 NIST
Ip 1326.00 NIST
Ip 1338.00 NIST
Ip Outlier 1354.00 NIST
Ip 1302.00 NIST
Ip 1277.00 NIST
Ip 1301.00 NIST
Ip 1277.00 NIST
Ip 1284.00 NIST
Ip 1297.00 NIST
Ip 1259.00 NIST
Ip 1301.00 NIST
Tboil [450.20; 455.21] K Show Hide
Tboil 455.13 K ChemSep v8.3 pure component data Compiled value
Tboil 455.20 K KDB
Tboil 455.20 K NIST
Tboil 455.15 ± 0.50 K NIST
Tboil 455.20 ± 0.20 K NIST
Tboil 455.21 ± 0.20 K NIST
Tboil 455.13 ± 0.30 K NIST
Tboil 455.21 ± 0.20 K NIST
Tboil 453.00 ± 2.00 K NIST
Tboil 454.90 ± 0.40 K NIST
Tboil 454.90 ± 0.40 K NIST
Tboil 454.90 ± 0.40 K NIST
Tboil 454.90 ± 0.40 K NIST
Tboil 454.90 ± 0.40 K NIST
Tboil 451.00 ± 5.00 K NIST
Tboil 451.00 ± 5.00 K NIST
Tboil Outlier 450.20 ± 3.00 K NIST
Tc [656.00; 666.60] K Show Hide
Tc 656.00 K ChemSep v8.3 pure component data Compiled value
Tc 666.60 K KDB
Tfus [190.57; 190.65] K Show Hide
Tfus 190.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 190.57 K ChemSep v8.3 pure component data Compiled value
Tfus 190.57 ± 0.02 K NIST
Ttriple 190.57 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 0.482 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2490000 ChemSep v8.3 pure component data Compiled value
Zra 0.25 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 47.80 kJ/mol 409.50 NIST
ρl 859.01 kg/m3 293.10 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [175.20; 477.28] J/mol×K [298.15; 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 A9.71270e+01
Coefficient B-5.99110e+02
Coefficient C6.36524e+00
Coefficient D1.16650e-05
Coefficient E-1.90030e-08
Temperature range, min.298.15
Temperature range, max.1500.00
Cp,gas 175.20 J/mol×K 298.15 Calculated Property
Cp,gas 242.44 J/mol×K 431.69 Calculated Property
Cp,gas 298.63 J/mol×K 565.23 Calculated Property
Cp,gas 343.47 J/mol×K 698.77 Calculated Property
Cp,gas 379.14 J/mol×K 832.31 Calculated Property
Cp,gas 407.72 J/mol×K 965.84 Calculated Property
Cp,gas 430.80 J/mol×K 1099.38 Calculated Property
Cp,gas 449.54 J/mol×K 1232.92 Calculated Property
Cp,gas 464.83 J/mol×K 1366.46 Calculated Property
Cp,gas 477.28 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [245.06; 351.42] J/mol×K [298.15; 490.50] 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 A1.56110e+02
Coefficient B-3.80930e+01
Coefficient C3.25124e+00
Coefficient D5.03130e-03
Coefficient E-1.52470e-06
Temperature range, min.298.15
Temperature range, max.490.50
Cp,liquid 245.06 J/mol×K 298.15 Calculated Property
Cp,liquid 254.01 J/mol×K 319.52 Calculated Property
Cp,liquid 263.61 J/mol×K 340.89 Calculated Property
Cp,liquid 273.87 J/mol×K 362.27 Calculated Property
Cp,liquid 284.84 J/mol×K 383.64 Calculated Property
Cp,liquid 296.56 J/mol×K 405.01 Calculated Property
Cp,liquid 309.04 J/mol×K 426.38 Calculated Property
Cp,liquid 322.33 J/mol×K 447.76 Calculated Property
Cp,liquid 336.44 J/mol×K 469.13 Calculated Property
Cp,liquid 351.42 J/mol×K 490.50 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0154100; 0.0000866] Pa×s [190.57; 603.15] 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-1.73010e+01
Coefficient B1.60140e+03
Coefficient C9.10180e-01
Coefficient D-1.47070e-06
Coefficient E2.00000e+00
Temperature range, min.190.57
Temperature range, max.603.15
η 0.0154100 Pa×s 190.57 Calculated Property
η 0.0035715 Pa×s 236.41 Calculated Property
η 0.0013487 Pa×s 282.25 Calculated Property
η 0.0006718 Pa×s 328.10 Calculated Property
η 0.0003968 Pa×s 373.94 Calculated Property
η 0.0002618 Pa×s 419.78 Calculated Property
η 0.0001861 Pa×s 465.62 Calculated Property
η 0.0001395 Pa×s 511.47 Calculated Property
η 0.0001085 Pa×s 557.31 Calculated Property
η 0.0000866 Pa×s 603.15 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [56.34; 7.76] kJ/mol [190.57; 654.00] 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 A6.19457e+01
Coefficient B5.24158e-02
Coefficient C1.08883e+00
Coefficient D-1.22236e+00
Coefficient E4.39479e-01
Critical temperature, Tc (K)6.56000e+02
Temperature range, min.190.57
Temperature range, max.654.00
ΔvapH 56.34 kJ/mol 190.57 Calculated Property
ΔvapH 53.71 kJ/mol 242.06 Calculated Property
ΔvapH 50.80 kJ/mol 293.55 Calculated Property
ΔvapH 47.67 kJ/mol 345.05 Calculated Property
ΔvapH 44.32 kJ/mol 396.54 Calculated Property
ΔvapH 40.69 kJ/mol 448.03 Calculated Property
ΔvapH 36.62 kJ/mol 499.52 Calculated Property
ΔvapH 31.73 kJ/mol 551.02 Calculated Property
ΔvapH 25.01 kJ/mol 602.51 Calculated Property
ΔvapH 7.76 kJ/mol 654.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [335.55; 484.55] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.44657e+01
Coefficient B-3.84928e+03
Coefficient C-6.40540e+01
Temperature range, min.335.55
Temperature range, max.484.55
Pvap 1.33 kPa 335.55 Calculated Property
Pvap 3.01 kPa 352.11 Calculated Property
Pvap 6.23 kPa 368.66 Calculated Property
Pvap 11.94 kPa 385.22 Calculated Property
Pvap 21.49 kPa 401.77 Calculated Property
Pvap 36.61 kPa 418.33 Calculated Property
Pvap 59.47 kPa 434.88 Calculated Property
Pvap 92.67 kPa 451.44 Calculated Property
Pvap 139.26 kPa 467.99 Calculated Property
Pvap 202.66 kPa 484.55 Calculated Property
Pvap [4.26e-07; 2811.68] kPa [190.57; 654.00] 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 A1.00551e+02
Coefficient B-9.50877e+03
Coefficient C-1.24892e+01
Coefficient D6.77692e-06
Coefficient E2.00000e+00
Temperature range, min.190.57
Temperature range, max.654.00
Pvap 4.26e-07 kPa 190.57 Calculated Property
Pvap 1.02e-03 kPa 242.06 Calculated Property
Pvap 0.11 kPa 293.55 Calculated Property
Pvap 2.26 kPa 345.05 Calculated Property
Pvap 18.49 kPa 396.54 Calculated Property
Pvap 85.05 kPa 448.03 Calculated Property
Pvap 271.21 kPa 499.52 Calculated Property
Pvap 680.67 kPa 551.02 Calculated Property
Pvap 1457.80 kPa 602.51 Calculated Property
Pvap 2811.68 kPa 654.00 Calculated Property
Pvap [1.30; 202.50] kPa [334.15; 485.15] 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 A1.05651e+02
Coefficient B-9.71981e+03
Coefficient C-1.32760e+01
Coefficient D7.64429e-06
Coefficient E0.00000e+00
Temperature range, min.334.15
Temperature range, max.485.15
Pvap 1.30 kPa 334.15 Calculated Property
Pvap 2.97 kPa 350.93 Calculated Property
Pvap 6.21 kPa 367.71 Calculated Property
Pvap 11.98 kPa 384.48 Calculated Property
Pvap 21.63 kPa 401.26 Calculated Property
Pvap 36.88 kPa 418.04 Calculated Property
Pvap 59.85 kPa 434.82 Calculated Property
Pvap 93.07 kPa 451.59 Calculated Property
Pvap 139.49 kPa 468.37 Calculated Property
Pvap 202.50 kPa 485.15 Calculated Property
Property Value Unit Temperature (K) Source
ρl [938.93; 290.11] kg/m3 [190.57; 654.00] 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 A2.44572e+01
Coefficient B1.51520e-01
Coefficient C6.56000e+02
Coefficient D2.01780e-01
Temperature range, min.190.57
Temperature range, max.654.00
ρl 938.93 kg/m3 190.57 Calculated Property
ρl 901.07 kg/m3 242.06 Calculated Property
ρl 861.00 kg/m3 293.55 Calculated Property
ρl 818.22 kg/m3 345.05 Calculated Property
ρl 771.94 kg/m3 396.54 Calculated Property
ρl 720.96 kg/m3 448.03 Calculated Property
ρl 663.21 kg/m3 499.52 Calculated Property
ρl 594.52 kg/m3 551.02 Calculated Property
ρl 503.66 kg/m3 602.51 Calculated Property
ρl 290.11 kg/m3 654.00 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 2.57e-06] N/m [190.57; 646.12] 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-8.65110e-03
Coefficient B6.11400e+01
Coefficient C-3.18880e+00
Coefficient D4.56900e-04
Coefficient E-4.67290e-06
CommentRange stopped where the equation turns negative; ChemSep gives it to 654 K.
Temperature range, min.190.57
Temperature range, max.646.12
γ 0.04 N/m 190.57 Calculated Property
γ 0.04 N/m 241.19 Calculated Property
γ 0.03 N/m 291.80 Calculated Property
γ 0.02 N/m 342.42 Calculated Property
γ 0.02 N/m 393.04 Calculated Property
γ 0.01 N/m 443.65 Calculated Property
γ 0.01 N/m 494.27 Calculated Property
γ 0.01 N/m 544.89 Calculated Property
γ 0.00 N/m 595.50 Calculated Property
γ 2.57e-06 N/m 646.12 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.07] W/m×K [190.57; 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 A8.35130e-05
Coefficient B1.05170e+00
Coefficient C5.70800e+02
Coefficient D3.37900e+04
Temperature range, min.190.57
Temperature range, max.1000.00
λgas 0.00 W/m×K 190.57 Calculated Property
λgas 0.01 W/m×K 280.51 Calculated Property
λgas 0.02 W/m×K 370.44 Calculated Property
λgas 0.02 W/m×K 460.38 Calculated Property
λgas 0.03 W/m×K 550.32 Calculated Property
λgas 0.04 W/m×K 640.25 Calculated Property
λgas 0.05 W/m×K 730.19 Calculated Property
λgas 0.06 W/m×K 820.13 Calculated Property
λgas 0.06 W/m×K 910.06 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 [190.57; 454.95] 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-7.41980e-02
Coefficient B4.02300e+00
Coefficient C-1.43640e+00
Coefficient D-4.22520e-04
Coefficient E-8.56200e-07
Temperature range, min.190.57
Temperature range, max.454.95
λliquid 0.14 W/m×K 190.57 Calculated Property
λliquid 0.14 W/m×K 219.95 Calculated Property
λliquid 0.13 W/m×K 249.32 Calculated Property
λliquid 0.13 W/m×K 278.70 Calculated Property
λliquid 0.12 W/m×K 308.07 Calculated Property
λliquid 0.12 W/m×K 337.45 Calculated Property
λliquid 0.11 W/m×K 366.82 Calculated Property
λliquid 0.10 W/m×K 396.20 Calculated Property
λliquid 0.10 W/m×K 425.57 Calculated Property
λliquid 0.09 W/m×K 454.95 Calculated Property

Similar Compounds

Benzene, 1,3-dipropyl. Benzene, 1-ethyl-3-propyl-. 1,2-Dimethyl-4-propylbenzene. Benzene, 1-(1-methylethyl)-3-propyl. Benzene, 1-butyl-3-methyl-. Benzene, propyl-. Benzene, 1,3-dimethyl-5-propyl-. Benzene, 1-methyl-3-(2-methylpropyl)-. Benzene, 1-ethyl-3-butyl. Benzene, 1-methyl-4-propyl-. Benzene, 1-methyl-3-pentyl. Benzene, 1-cyclopropyl-3-methyl-. Benzene, 1,4-dipropyl-. Benzene, 1-ethyl-4-propyl-. Benzene, 1-methyl-3-hexyl-.

Find more compounds similar to Benzene, 1-methyl-3-propyl-.

Sources

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