Chemical Properties of Benzene, 1-methyl-4-propyl- (CAS 1074-55-1)

Benzene, 1-methyl-4-propyl-

InChI
InChI=1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
InChI Key
JXFVMNFKABWTHD-UHFFFAOYSA-N
Formula
C10H14
SMILES
CCCc1ccc(C)cc1
Molecular Weight1
134.22
CAS
1074-55-1
Other Names
  • 1-Methyl-4-n-propylbenzene
  • 1-Methyl-4-propylbenzene
  • 4-Propyl-1-methylbenzene
  • 4-n-Propyltoluene
  • 4-propyltoluene
  • Toluene, p-propyl-
  • p-Methylpropylbenzene
  • p-Propyltoluene
  • p-n-Propyl toluene
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Physical Properties

Property Value Unit Source
ω [0.3856; 0.4134]   Show Hide
ω 0.3856 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.4134 ChemSep v8.3 pure component data Compiled value
ω 0.4020 KDB
ΔcH°liquid [-5860.86; -5860.40] kJ/mol Show Hide
ΔcH°liquid -5860.86 ± 0.88 kJ/mol NIST
ΔcH°liquid -5860.40 ± 2.20 kJ/mol NIST
μ 0.00 debye ChemSep v8.3 pure component data Compiled value
ΔfG° 138.20 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -23.14 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°liquid [-75.60; -75.10] kJ/mol Show Hide
ΔfH°liquid -75.10 ± 1.00 kJ/mol NIST
ΔfH°liquid -75.60 ± 2.10 kJ/mol NIST
ΔfusH° 15.31 kJ/mol Joback Calculated Property
ΔvapH° 51.90 kJ/mol NIST
IE 8.34 eV Relay (1.0) Calculated Property
log10WS -3.77 Relay (1.0) Calculated Property
logPoct/wat 2.948 Crippen Calculated Property
McVol 128.000 ml/mol McGowan Calculated Property
Pc [2845.00; 2860.00] kPa Show Hide
Pc 2845.21 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 2860.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 2845.00 kPa KDB
Ptriple 1.72e-05 kPa ChemSep v8.3 pure component data Compiled value
Inp [172.80; 1070.00]   Show Hide
Inp 1046.00 NIST
Inp 1032.00 NIST
Inp 1032.00 NIST
Inp 1046.50 NIST
Inp 1046.00 NIST
Inp 1046.00 NIST
Inp 1046.00 NIST
Inp 1046.00 NIST
Inp 1047.00 NIST
Inp 1047.00 NIST
Inp 1047.00 NIST
Inp 1040.00 NIST
Inp 1038.10 NIST
Inp 1048.00 NIST
Inp 1053.00 NIST
Inp 1058.00 NIST
Inp 1035.90 NIST
Inp 1038.80 NIST
Inp 1047.50 NIST
Inp 1052.60 NIST
Inp 1057.70 NIST
Inp 1035.40 NIST
Inp 1033.00 NIST
Inp 1035.90 NIST
Inp 1038.80 NIST
Inp 1040.00 NIST
Inp 1033.02 NIST
Inp 1035.40 NIST
Inp 1039.30 NIST
Inp 1039.00 NIST
Inp 1044.00 NIST
Inp 1039.00 NIST
Inp 1070.00 NIST
Inp 1046.40 NIST
Inp 1046.00 NIST
Inp 1048.00 NIST
Inp 1038.40 NIST
Inp 1040.00 NIST
Inp 1042.00 NIST
Inp 1036.49 NIST
Inp 1039.82 NIST
Inp 1042.19 NIST
Inp 1052.90 NIST
Inp 1056.46 NIST
Inp 1059.10 NIST
Inp 1039.00 NIST
Inp 1046.00 NIST
Inp 1048.00 NIST
Inp 1053.00 NIST
Inp 1053.00 NIST
Inp 1048.00 NIST
Inp 1047.00 NIST
Inp 1048.00 NIST
Inp 1046.00 NIST
Inp 1056.00 NIST
Inp 1059.00 NIST
Inp 1049.00 NIST
Inp 1061.30 NIST
Inp 1047.00 NIST
Inp 1038.00 NIST
Inp 1046.00 NIST
Inp 1038.00 NIST
Inp 1038.00 NIST
Inp 1046.00 NIST
Inp 1038.00 NIST
Inp 1047.00 NIST
Inp 1046.50 NIST
Inp 1047.00 NIST
Inp 1039.80 NIST
Inp Outlier 172.80 NIST
Inp 1046.00 NIST
Inp 1047.00 NIST
Inp 1058.00 NIST
Inp 1057.70 NIST
Inp 1040.00 NIST
Inp 1044.00 NIST
Inp Outlier 172.80 NIST
Inp 1046.40 NIST
Ip [1262.00; 1354.00]   Show Hide
Ip 1262.00 NIST
Ip 1301.00 NIST
Ip 1279.90 NIST
Ip 1296.00 NIST
Ip 1279.90 NIST
Ip 1295.00 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 1280.00 NIST
Ip 1301.00 NIST
Ip 1280.00 NIST
Ip 1287.50 NIST
Ip 1262.00 NIST
Ip 1295.00 NIST
Tboil [452.90; 457.00] K Show Hide
Tboil 456.53 K ChemSep v8.3 pure component data Compiled value
Tboil 456.20 K KDB
Tboil 456.60 K NIST
Tboil 456.65 ± 0.50 K NIST
Tboil 456.59 ± 0.20 K NIST
Tboil 456.53 ± 0.20 K NIST
Tboil 456.00 ± 3.00 K NIST
Tboil 456.61 ± 0.30 K NIST
Tboil 456.25 ± 0.20 K NIST
Tboil 456.25 ± 0.20 K NIST
Tboil 456.25 ± 0.20 K NIST
Tboil 456.61 ± 0.30 K NIST
Tboil 456.25 ± 0.30 K NIST
Tboil 456.61 ± 0.30 K NIST
Tboil 456.60 ± 0.30 K NIST
Tboil 456.58 ± 0.30 K NIST
Tboil 456.61 ± 0.30 K NIST
Tboil 457.00 ± 3.00 K NIST
Tboil 457.00 ± 5.00 K NIST
Tboil 457.00 ± 4.00 K NIST
Tboil 456.00 ± 3.00 K NIST
Tboil Outlier 452.90 ± 3.00 K NIST
Tc [658.00; 660.70] K Show Hide
Tc 660.70 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 658.00 K ChemSep v8.3 pure component data Compiled value
Tc 660.70 K KDB
Tfus [208.50; 209.55] K Show Hide
Tfus 209.35 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 209.46 K ChemSep v8.3 pure component data Compiled value
Tfus 209.55 K KDB
Tfus 209.45 ± 0.01 K NIST
Tfus 209.38 ± 0.20 K NIST
Tfus 208.95 ± 0.50 K NIST
Tfus Outlier 208.50 ± 0.60 K NIST
Ttriple 209.55 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; 0.482] m3/kmol Show Hide
Vc 0.482 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.482 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2480000 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 47.60 kJ/mol 411.00 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 [244.15; 351.17] J/mol×K [298.15; 492.00] 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 A1.28960e+02
Coefficient B-1.02230e+02
Coefficient C4.36124e+00
Coefficient D2.29130e-03
Coefficient E5.07420e-07
Temperature range, min.298.15
Temperature range, max.492.00
Cp,liquid 244.15 J/mol×K 298.15 Calculated Property
Cp,liquid 253.65 J/mol×K 319.69 Calculated Property
Cp,liquid 263.60 J/mol×K 341.23 Calculated Property
Cp,liquid 274.06 J/mol×K 362.77 Calculated Property
Cp,liquid 285.10 J/mol×K 384.31 Calculated Property
Cp,liquid 296.77 J/mol×K 405.84 Calculated Property
Cp,liquid 309.15 J/mol×K 427.38 Calculated Property
Cp,liquid 322.29 J/mol×K 448.92 Calculated Property
Cp,liquid 336.27 J/mol×K 470.46 Calculated Property
Cp,liquid 351.17 J/mol×K 492.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0077251; 0.0001168] Pa×s [209.55; 553.15] 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-6.50053e+01
Coefficient B3.27306e+03
Coefficient C8.41308e+00
Coefficient D-1.01347e-05
Coefficient E2.00000e+00
Temperature range, min.209.55
Temperature range, max.553.15
η 0.0077251 Pa×s 209.55 Calculated Property
η 0.0023833 Pa×s 247.73 Calculated Property
η 0.0011091 Pa×s 285.91 Calculated Property
η 0.0006528 Pa×s 324.08 Calculated Property
η 0.0004406 Pa×s 362.26 Calculated Property
η 0.0003220 Pa×s 400.44 Calculated Property
η 0.0002458 Pa×s 438.62 Calculated Property
η 0.0001915 Pa×s 476.79 Calculated Property
η 0.0001500 Pa×s 514.97 Calculated Property
η 0.0001168 Pa×s 553.15 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [55.03; 7.44] kJ/mol [209.55; 656.00] 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 A5.96320e+01
Coefficient B-1.30890e-01
Coefficient C1.57690e+00
Coefficient D-1.83250e+00
Coefficient E7.46080e-01
Critical temperature, Tc (K)6.58000e+02
Temperature range, min.209.55
Temperature range, max.656.00
ΔvapH 55.03 kJ/mol 209.55 Calculated Property
ΔvapH 52.58 kJ/mol 259.16 Calculated Property
ΔvapH 49.86 kJ/mol 308.76 Calculated Property
ΔvapH 46.92 kJ/mol 358.37 Calculated Property
ΔvapH 43.74 kJ/mol 407.97 Calculated Property
ΔvapH 40.26 kJ/mol 457.58 Calculated Property
ΔvapH 36.27 kJ/mol 507.18 Calculated Property
ΔvapH 31.36 kJ/mol 556.79 Calculated Property
ΔvapH 24.47 kJ/mol 606.39 Calculated Property
ΔvapH 7.44 kJ/mol 656.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [336.32; 486.18] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.45089e+01
Coefficient B-3.90155e+03
Coefficient C-6.19770e+01
Temperature range, min.336.32
Temperature range, max.486.18
Pvap 1.33 kPa 336.32 Calculated Property
Pvap 3.01 kPa 352.97 Calculated Property
Pvap 6.21 kPa 369.62 Calculated Property
Pvap 11.92 kPa 386.27 Calculated Property
Pvap 21.45 kPa 402.92 Calculated Property
Pvap 36.54 kPa 419.58 Calculated Property
Pvap 59.37 kPa 436.23 Calculated Property
Pvap 92.57 kPa 452.88 Calculated Property
Pvap 139.17 kPa 469.53 Calculated Property
Pvap 202.65 kPa 486.18 Calculated Property
Pvap [1.31e-05; 2731.75] kPa [209.55; 656.00] 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 A9.63254e+01
Coefficient B-9.32142e+03
Coefficient C-1.18535e+01
Coefficient D6.22813e-06
Coefficient E2.00000e+00
Temperature range, min.209.55
Temperature range, max.656.00
Pvap 1.31e-05 kPa 209.55 Calculated Property
Pvap 6.10e-03 kPa 259.16 Calculated Property
Pvap 0.29 kPa 308.76 Calculated Property
Pvap 4.05 kPa 358.37 Calculated Property
Pvap 26.06 kPa 407.97 Calculated Property
Pvap 104.02 kPa 457.58 Calculated Property
Pvap 303.40 kPa 507.18 Calculated Property
Pvap 717.00 kPa 556.79 Calculated Property
Pvap 1468.98 kPa 606.39 Calculated Property
Pvap 2731.75 kPa 656.00 Calculated Property
Pvap [1.33; 203.25] kPa [335.15; 487.15] 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 A1.04171e+02
Coefficient B-9.64433e+03
Coefficient C-1.30610e+01
Coefficient D7.46048e-06
Coefficient E0.00000e+00
Temperature range, min.335.15
Temperature range, max.487.15
Pvap 1.33 kPa 335.15 Calculated Property
Pvap 3.04 kPa 352.04 Calculated Property
Pvap 6.33 kPa 368.93 Calculated Property
Pvap 12.19 kPa 385.82 Calculated Property
Pvap 21.95 kPa 402.71 Calculated Property
Pvap 37.33 kPa 419.59 Calculated Property
Pvap 60.44 kPa 436.48 Calculated Property
Pvap 93.78 kPa 453.37 Calculated Property
Pvap 140.28 kPa 470.26 Calculated Property
Pvap 203.25 kPa 487.15 Calculated Property
Property Value Unit Temperature (K) Source
ρl [931.44; 436.33] kg/m3 [209.55; 632.50] 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 A6.47187e+01
Coefficient B2.42590e-01
Coefficient C6.58000e+02
Coefficient D3.25310e-01
Temperature range, min.209.55
Temperature range, max.632.50
ρl 931.44 kg/m3 209.55 Calculated Property
ρl 891.14 kg/m3 256.54 Calculated Property
ρl 849.49 kg/m3 303.54 Calculated Property
ρl 806.15 kg/m3 350.53 Calculated Property
ρl 760.65 kg/m3 397.53 Calculated Property
ρl 712.31 kg/m3 444.52 Calculated Property
ρl 659.97 kg/m3 491.52 Calculated Property
ρl 601.58 kg/m3 538.51 Calculated Property
ρl 532.49 kg/m3 585.51 Calculated Property
ρl 436.33 kg/m3 632.50 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 2.16e-05] N/m [209.55; 644.84] 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-1.94720e-01
Coefficient B-2.84630e+00
Coefficient C-1.27260e+00
Coefficient D-8.55000e-04
Coefficient E4.62390e-07
CommentRange stopped where the equation turns negative; ChemSep gives it to 656 K.
Temperature range, min.209.55
Temperature range, max.644.84
γ 0.04 N/m 209.55 Calculated Property
γ 0.03 N/m 257.92 Calculated Property
γ 0.03 N/m 306.28 Calculated Property
γ 0.02 N/m 354.65 Calculated Property
γ 0.02 N/m 403.01 Calculated Property
γ 0.01 N/m 451.38 Calculated Property
γ 0.01 N/m 499.74 Calculated Property
γ 0.01 N/m 548.11 Calculated Property
γ 0.00 N/m 596.47 Calculated Property
γ 2.16e-05 N/m 644.84 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.01; 0.07] W/m×K [209.55; 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 A8.33470e-05
Coefficient B1.05170e+00
Coefficient C5.73970e+02
Coefficient D3.31360e+04
Temperature range, min.209.55
Temperature range, max.1000.00
λgas 0.01 W/m×K 209.55 Calculated Property
λgas 0.01 W/m×K 297.38 Calculated Property
λgas 0.02 W/m×K 385.21 Calculated Property
λgas 0.02 W/m×K 473.03 Calculated Property
λgas 0.03 W/m×K 560.86 Calculated Property
λgas 0.04 W/m×K 648.69 Calculated Property
λgas 0.05 W/m×K 736.52 Calculated Property
λgas 0.06 W/m×K 824.34 Calculated Property
λgas 0.06 W/m×K 912.17 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 [209.55; 456.45] 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-8.10490e-02
Coefficient B3.27590e+00
Coefficient C-1.40260e+00
Coefficient D-4.36340e-04
Coefficient E-7.90350e-07
Temperature range, min.209.55
Temperature range, max.456.45
λliquid 0.14 W/m×K 209.55 Calculated Property
λliquid 0.13 W/m×K 236.98 Calculated Property
λliquid 0.13 W/m×K 264.42 Calculated Property
λliquid 0.12 W/m×K 291.85 Calculated Property
λliquid 0.12 W/m×K 319.28 Calculated Property
λliquid 0.11 W/m×K 346.72 Calculated Property
λliquid 0.11 W/m×K 374.15 Calculated Property
λliquid 0.10 W/m×K 401.58 Calculated Property
λliquid 0.10 W/m×K 429.02 Calculated Property
λliquid 0.09 W/m×K 456.45 Calculated Property

Similar Compounds

Benzene, 1,4-dipropyl-. Benzene, 1-ethyl-4-propyl-. Benzene, propyl-. Tricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene. Benzene, 1-(1-methylethyl)-4-propyl. 1-Butyl-4-methylbenzene. Benzene, 1-butyl-4-propyl. Benzene, 1-methyl-3-propyl-. Benzene, 1,4-dibutyl. Benzene, 1,1'-(1,3-propanediyl)bis-. p-Propylacetophenone. Benzene, 1-methyl-4-(2-methylpropyl)-. Benzene, 1-butyl-4-ethyl. Benzene, 1-chloro-4-propyl-. Benzoyl chloride, 4-propyl-.

Find more compounds similar to Benzene, 1-methyl-4-propyl-.

Sources

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