Chemical Properties of Benzene, hexyl- (CAS 1077-16-3)

Benzene, hexyl-

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InChI
InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3
InChI Key
LTEQMZWBSYACLV-UHFFFAOYSA-N
Formula
C12H18
SMILES
CCCCCCc1ccccc1
Molecular Weight1
162.27
CAS
1077-16-3
Other Names
  • 1-PHENYLHEXYLBENZENE
  • 1-Phenylhexane
  • Hexane, 1-phenyl-
  • Hexylbenzene
  • n-Hexylbenzene
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Physical Properties

Property Value Unit Source
ω 0.4800 KDB
Δf 162.57 kJ/mol Joback Calculated Property
Δfgas -54.48 kJ/mol Joback Calculated Property
Δfus 20.88 kJ/mol Joback Calculated Property
Δvap [60.00; 60.20] kJ/mol Show Hide
Δvap 60.20 kJ/mol NIST
Δvap 60.00 kJ/mol NIST
log10WS [-5.21; -5.21]   Show Hide
log10WS -5.21 Aq. Sol...
log10WS -5.21 Estimat...
logPoct/wat 3.809 Crippen Calculated Property
McVol 156.180 ml/mol McGowan Calculated Property
Pc 2380.00 kPa KDB
Inp [213.10; 1277.00]   Show Hide
Inp 1255.00 NIST
Inp 1239.00 NIST
Inp 1260.00 NIST
Inp 1271.00 NIST
Inp 1244.00 NIST
Inp 1230.00 NIST
Inp 1264.00 NIST
Inp 1263.00 NIST
Inp 1244.00 NIST
Inp 1250.00 NIST
Inp 1256.00 NIST
Inp 1225.40 NIST
Inp 1228.80 NIST
Inp 1243.60 NIST
Inp 1249.70 NIST
Inp 1256.20 NIST
Inp 1225.40 NIST
Inp 1228.80 NIST
Inp 1228.00 NIST
Inp 1231.00 NIST
Inp 1259.00 NIST
Inp 1277.00 NIST
Inp 1273.00 NIST
Inp 1223.00 NIST
Inp 1231.20 NIST
Inp 1235.00 NIST
Inp 1239.70 NIST
Inp 1245.00 NIST
Inp 1245.00 NIST
Inp 1244.00 NIST
Inp 1252.75 NIST
Inp 1254.60 NIST
Inp 1258.40 NIST
Inp 1260.90 NIST
Inp 1233.00 NIST
Inp 1245.20 NIST
Inp 1247.20 NIST
Inp 1247.30 NIST
Inp 1254.60 NIST
Inp 1258.40 NIST
Inp 1260.90 NIST
Inp 1257.00 NIST
Inp 1254.00 NIST
Inp 1247.00 NIST
Inp 1241.23 NIST
Inp 1245.30 NIST
Inp 1248.08 NIST
Inp 1259.18 NIST
Inp 1263.43 NIST
Inp 1266.48 NIST
Inp 1244.00 NIST
Inp 1246.00 NIST
Inp 1244.00 NIST
Inp 1256.00 NIST
Inp 1220.00 NIST
Inp 1262.00 NIST
Inp 1254.00 NIST
Inp 1242.00 NIST
Inp 1267.20 NIST
Inp 1244.00 NIST
Inp 1228.00 NIST
Inp Outlier 213.10 NIST
Inp 1254.60 NIST
Inp 1247.20 NIST
Inp 1257.00 NIST
Inp 1248.08 NIST
Inp 1245.00 NIST
Inp 1228.00 NIST
Inp 1255.00 NIST
Inp 1230.00 NIST
Inp 1256.00 NIST
Inp 1256.20 NIST
Inp 1259.00 NIST
Inp 1235.00 NIST
I [1489.20; 1578.90]   Show Hide
I 1556.10 NIST
I 1561.80 NIST
I 1567.50 NIST
I 1573.20 NIST
I 1578.90 NIST
I 1489.20 NIST
I 1531.00 NIST
I 1529.00 NIST
I 1499.00 NIST
I 1515.00 NIST
I 1513.00 NIST
I 1513.00 NIST
I 1524.00 NIST
I 1537.00 NIST
I 1551.00 NIST
I 1500.00 NIST
I 1532.00 NIST
I 1531.00 NIST
Tboil [481.00; 500.50] K Show Hide
Tboil 499.30 K KDB
Tboil 499.30 K NIST
Tboil 498.92 ± 0.20 K NIST
Tboil 498.92 ± 0.50 K NIST
Tboil 488.65 ± 1.50 K NIST
Tboil 498.15 ± 1.50 K NIST
Tboil 490.00 ± 10.00 K NIST
Tboil 498.90 ± 0.50 K NIST
Tboil 491.00 ± 12.00 K NIST
Tboil 485.00 ± 6.00 K NIST
Tboil 487.00 ± 20.00 K NIST
Tboil 494.00 ± 3.00 K NIST
Tboil 500.00 ± 4.00 K NIST
Tboil 500.00 ± 4.00 K NIST
Tboil 500.00 ± 5.00 K NIST
Tboil 499.00 ± 6.00 K NIST
Tboil 492.00 ± 5.00 K NIST
Tboil 492.00 ± 5.00 K NIST
Tboil 494.00 ± 6.00 K NIST
Tboil 500.50 ± 1.00 K NIST
Tboil 488.15 ± 2.00 K NIST
Tboil 488.00 ± 5.00 K NIST
Tboil 493.00 ± 5.00 K NIST
Tboil Outlier 481.00 ± 6.00 K NIST
Tc 697.50 K KDB
Tfus [206.40; 212.00] K Show Hide
Tfus 212.00 K KDB
Tfus 209.70 ± 0.30 K NIST
Tfus 209.70 ± 0.50 K NIST
Tfus 206.40 ± 1.50 K NIST
Vc 0.620 m3/kmol KDB
Zc 0.2544410 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [345.46; 433.87] J/mol×K [500.64; 699.90] Show Hide
Cp,gas 345.46 J/mol×K 500.64 Joback Calculated Property
Cp,gas 362.33 J/mol×K 533.85 Joback Calculated Property
Cp,gas 378.30 J/mol×K 567.06 Joback Calculated Property
Cp,gas 393.41 J/mol×K 600.27 Joback Calculated Property
Cp,gas 407.68 J/mol×K 633.48 Joback Calculated Property
Cp,gas 421.16 J/mol×K 666.69 Joback Calculated Property
Cp,gas 433.87 J/mol×K 699.90 Joback Calculated Property
Cp,liquid 248.00 J/mol×K 293.00 NIST
η [0.0002074; 0.0038377] Pa×s [251.42; 500.64] Show Hide
η 0.0038377 Pa×s 251.42 Joback Calculated Property
η 0.0016716 Pa×s 292.96 Joback Calculated Property
η 0.0008950 Pa×s 334.49 Joback Calculated Property
η 0.0005501 Pa×s 376.03 Joback Calculated Property
η 0.0003725 Pa×s 417.57 Joback Calculated Property
η 0.0002707 Pa×s 459.10 Joback Calculated Property
η 0.0002074 Pa×s 500.64 Joback Calculated Property
ΔvapH [43.09; 61.60] kJ/mol [368.50; 499.30] Show Hide
ΔvapH 61.60 kJ/mol 368.50 NIST
ΔvapH 43.09 kJ/mol 499.30 KDB
ρl [819.50; 889.10] kg/m3 [253.15; 343.15] Show Hide
ρl 889.10 kg/m3 253.15 Density...
ρl 862.40 kg/m3 288.15 Density...
ρl 858.60 kg/m3 293.15 Density...
ρl 857.69 kg/m3 293.15 Density...
ρl 850.09 kg/m3 303.15 Density...
ρl 851.00 kg/m3 303.15 Density...
ρl 843.40 kg/m3 313.15 Density...
ρl 842.49 kg/m3 313.15 Density...
ρl 835.80 kg/m3 323.15 Density...
ρl 834.87 kg/m3 323.15 Density...
ρl 827.48 kg/m3 333.15 Density...
ρl 828.20 kg/m3 333.15 Density...
ρl 819.50 kg/m3 343.15 Density...
γ 0.03 N/m 294.40 Densiti...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [367.43; 531.55] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47833e+01
Coefficient B-4.48545e+03
Coefficient C-5.79950e+01
Temperature range, min.367.43
Temperature range, max.531.55
Pvap 1.33 kPa 367.43 Calculated Property
Pvap 2.99 kPa 385.67 Calculated Property
Pvap 6.15 kPa 403.90 Calculated Property
Pvap 11.77 kPa 422.14 Calculated Property
Pvap 21.18 kPa 440.37 Calculated Property
Pvap 36.12 kPa 458.61 Calculated Property
Pvap 58.81 kPa 476.84 Calculated Property
Pvap 91.94 kPa 495.08 Calculated Property
Pvap 138.67 kPa 513.31 Calculated Property
Pvap 202.64 kPa 531.55 Calculated Property
Pvap [5.66e-07; 2288.15] kPa [212.00; 698.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.17344e+01
Coefficient B-1.01347e+04
Coefficient C-1.09214e+01
Coefficient D4.18024e-06
Temperature range, min.212.00
Temperature range, max.698.00
Pvap 5.66e-07 kPa 212.00 Calculated Property
Pvap 8.67e-04 kPa 266.00 Calculated Property
Pvap 0.08 kPa 320.00 Calculated Property
Pvap 1.68 kPa 374.00 Calculated Property
Pvap 14.11 kPa 428.00 Calculated Property
Pvap 67.17 kPa 482.00 Calculated Property
Pvap 220.44 kPa 536.00 Calculated Property
Pvap 562.30 kPa 590.00 Calculated Property
Pvap 1205.29 kPa 644.00 Calculated Property
Pvap 2288.15 kPa 698.00 Calculated Property

Similar Compounds

Benzene, tetradecyl-. 1-Phenylheneicosane. Benzene, heptyl-. Benzene, hexadecyl-. Benzene, decyl-. Benzene, pentadecyl-. Benzene, octadecyl-. n-Heptadecylbenzene. Benzene, nonyl-. Benzene, nonadecyl-. Benzene, undecyl-. Benzene, dodecyl-. Benzene, tridecyl-. Benzene, eicosyl-. Benzene, octyl-.

Find more compounds similar to Benzene, hexyl-.

Mixtures

Sources

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