Chemical Properties of Benzene, pentamethyl- (CAS 700-12-9)

Benzene, pentamethyl-

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InChI
InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3
InChI Key
BEZDDPMMPIDMGJ-UHFFFAOYSA-N
Formula
C11H16
SMILES
Cc1cc(C)c(C)c(C)c1C
Molecular Weight1
148.24
CAS
700-12-9
Other Names
  • 1,2,3,4,5-PENTAMETHYLBENZENE
  • Benzene, 1,2,3,4,5-pentamethyl-
  • Pentamethylbenzene

Physical Properties

Property Value Unit Source
ω 0.4070 KDB
PAff 850.70 kJ/mol NIST
BasG 823.50 kJ/mol NIST
Δcliquid -6475.60 ± 6.30 kJ/mol NIST
Δcsolid [-6480.10; -6470.60] kJ/mol Show Hide
Δcsolid -6470.60 ± 1.60 kJ/mol NIST
Δcsolid -6480.10 ± 2.60 kJ/mol NIST
EA 0.18 ± 0.01 eV NIST
Δf 115.63 kJ/mol Joback Calculated Property
Δfgas [-67.20; -57.70] kJ/mol Show Hide
Δfgas -67.20 ± 2.20 kJ/mol NIST
Δfgas -57.70 kJ/mol NIST
Δfsolid [-144.60; -135.10] kJ/mol Show Hide
Δfsolid -144.60 ± 2.20 kJ/mol NIST
Δfsolid -135.10 ± 2.60 kJ/mol NIST
Δfus 16.73 kJ/mol Joback Calculated Property
Δsub [71.60; 77.40] kJ/mol Show Hide
Δsub 71.60 ± 0.10 kJ/mol NIST
Δsub 71.60 ± 0.10 kJ/mol NIST
Δsub 77.40 ± 0.40 kJ/mol NIST
Δsub 77.40 kJ/mol NIST
Δsub 77.40 ± 0.40 kJ/mol NIST
Δvap 45.00 kJ/mol Joback Calculated Property
IE [7.90; 7.92] eV Show Hide
IE 7.92 eV NIST
IE 7.92 eV NIST
IE Outlier 7.90 eV NIST
IE 7.92 ± 0.02 eV NIST
IE 7.92 eV NIST
log10WS [-4.00; -4.00]   Show Hide
log10WS -4.00 Aq. Sol...
log10WS -4.00 Estimat...
logPoct/wat 3.229 Crippen Calculated Property
McVol 142.090 ml/mol McGowan Calculated Property
Pc 2490.00 kPa KDB
Inp [218.10; 1292.60]   Show Hide
Inp 1281.80 NIST
Inp 1292.60 NIST
Inp 1260.00 NIST
Inp 1260.00 NIST
Inp 1260.00 NIST
Inp 1270.00 NIST
Inp 1280.00 NIST
Inp 1253.90 NIST
Inp 1258.60 NIST
Inp 1260.30 NIST
Inp 1270.40 NIST
Inp 1280.50 NIST
Inp 1253.90 NIST
Inp 1258.60 NIST
Inp 1260.00 NIST
Inp 1251.20 NIST
Inp 1261.00 NIST
Inp 1274.15 NIST
Inp 1265.42 NIST
Inp 1265.49 NIST
Inp 1265.00 NIST
Inp 1261.00 NIST
Inp 1249.00 NIST
Inp 1283.00 NIST
Inp 1264.00 NIST
Inp 1287.00 NIST
Inp 1268.00 NIST
Inp 1269.00 NIST
Inp 1290.40 NIST
Inp 1261.00 NIST
Inp Outlier 218.10 NIST
Inp 1287.00 NIST
Inp 1281.80 NIST
Inp 1270.00 NIST
Inp 1270.40 NIST
Inp 1251.20 NIST
Inp 1265.42 NIST
I [1644.50; 1666.70]   Show Hide
I 1644.50 NIST
I 1666.70 NIST
I 1644.50 NIST
solid,1 bar 294.10 J/mol×K NIST
Tboil [486.00; 540.00] K Show Hide
Tboil 505.10 K KDB
Tboil 505.20 K NIST
Tboil 505.15 ± 0.60 K NIST
Tboil 504.00 ± 2.00 K NIST
Tboil 503.40 ± 1.50 K NIST
Tboil 503.15 ± 2.00 K NIST
Tboil 486.00 ± 6.00 K NIST
Tboil 503.00 ± 3.00 K NIST
Tboil Outlier 540.00 ± 6.00 K NIST
Tboil 503.00 ± 3.00 K NIST
Tboil 503.00 ± 3.00 K NIST
Tc 719.00 K KDB
Tfus [327.40; 327.50] K Show Hide
Tfus 327.50 K KDB
Tfus 327.40 K Aq. Sol...
Vc 0.543 m3/kmol KDB
Zc 0.2263780 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [302.47; 380.26] J/mol×K [497.68; 704.55] Show Hide
Cp,gas 302.47 J/mol×K 497.68 Joback Calculated Property
Cp,gas 316.97 J/mol×K 532.16 Joback Calculated Property
Cp,gas 330.85 J/mol×K 566.64 Joback Calculated Property
Cp,gas 344.10 J/mol×K 601.11 Joback Calculated Property
Cp,gas 356.74 J/mol×K 635.59 Joback Calculated Property
Cp,gas 368.79 J/mol×K 670.07 Joback Calculated Property
Cp,gas 380.26 J/mol×K 704.55 Joback Calculated Property
Cp,solid [210.50; 270.30] J/mol×K [283.80; 303.00] Show Hide
Cp,solid 251.00 J/mol×K 283.80 NIST
Cp,solid 270.30 J/mol×K 298.10 NIST
Cp,solid 210.50 J/mol×K 298.15 NIST
Cp,solid 267.30 J/mol×K 303.00 NIST
η [0.0001878; 0.0010148] Pa×s [290.23; 497.68] Show Hide
η 0.0010148 Pa×s 290.23 Joback Calculated Property
η 0.0006596 Pa×s 324.81 Joback Calculated Property
η 0.0004658 Pa×s 359.38 Joback Calculated Property
η 0.0003496 Pa×s 393.96 Joback Calculated Property
η 0.0002749 Pa×s 428.53 Joback Calculated Property
η 0.0002240 Pa×s 463.11 Joback Calculated Property
η 0.0001878 Pa×s 497.68 Joback Calculated Property
ΔfusH [1.98; 10.67] kJ/mol [296.80; 328.20] Show Hide
ΔfusH 1.98 kJ/mol 296.80 NIST
ΔfusH 10.67 kJ/mol 328.20 NIST
ΔfusH 10.67 kJ/mol 328.20 NIST
ΔfusH 10.67 kJ/mol 328.20 NIST
ΔvapH 57.80 kJ/mol 420.50 NIST
ΔfusS [6.67; 32.51] J/mol×K [296.80; 328.20] Show Hide
ΔfusS 6.67 J/mol×K 296.80 NIST
ΔfusS 32.50 J/mol×K 328.20 NIST
ΔfusS 32.51 J/mol×K 328.20 NIST
γ 0.02 N/m 373.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [373.17; 537.28] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43421e+01
Coefficient B-4.14581e+03
Coefficient C-7.81920e+01
Temperature range, min.373.17
Temperature range, max.537.28
Pvap 1.33 kPa 373.17 Calculated Property
Pvap 3.02 kPa 391.40 Calculated Property
Pvap 6.26 kPa 409.64 Calculated Property
Pvap 12.01 kPa 427.87 Calculated Property
Pvap 21.62 kPa 446.11 Calculated Property
Pvap 36.81 kPa 464.34 Calculated Property
Pvap 59.74 kPa 482.58 Calculated Property
Pvap 92.97 kPa 500.81 Calculated Property
Pvap 139.50 kPa 519.05 Calculated Property
Pvap 202.67 kPa 537.28 Calculated Property
Pvap [0.18; 224.43] kPa [338.15; 543.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.61243e+02
Coefficient B-1.35972e+04
Coefficient C-2.13080e+01
Coefficient D1.14973e-05
Temperature range, min.338.15
Temperature range, max.543.00
Pvap 0.18 kPa 338.15 Calculated Property
Pvap 0.66 kPa 360.91 Calculated Property
Pvap 2.05 kPa 383.67 Calculated Property
Pvap 5.37 kPa 406.43 Calculated Property
Pvap 12.34 kPa 429.19 Calculated Property
Pvap 25.49 kPa 451.96 Calculated Property
Pvap 48.25 kPa 474.72 Calculated Property
Pvap 85.06 kPa 497.48 Calculated Property
Pvap 141.49 kPa 520.24 Calculated Property
Pvap 224.43 kPa 543.00 Calculated Property

Similar Compounds

Benzene, 1,2,3,5-tetramethyl-. Benzene, 1,2,3,4-tetramethyl-. Benzene, 1,2,4,5-tetramethyl-. Benzene, 1,2,4-trimethyl-. Benzene, 1,2,3-trimethyl-. 2,3,5,6-Tetramethylbenzyl chloride. 1,2,3,4-Tetramethyl-5-(chloromethyl)benzene. 2,4-Bis(chloromethyl)mesitylene. C11H14Cl2. Benzaldehyde, 2,4,6-trimethyl-. 1,2,4-Trimethyl-3,5-bis(chloromethyl)benzene. Benzene, 2-(chloromethyl)-1,3,5-trimethyl-. 1,2,4-Trimethyl-5,6-bis(chloromethyl)benzene. 1,3-Dimethyl-2,4,6-tris(chloromethyl)benzene. 2,3,5,6-Tetramethylstyrene.

Find more compounds similar to Benzene, pentamethyl-.

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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