Chemical Properties of Benzene, hexamethyl- (CAS 87-85-4)

Benzene, hexamethyl-

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InChI
InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
InChI Key
YUWFEBAXEOLKSG-UHFFFAOYSA-N
Formula
C12H18
SMILES
Cc1c(C)c(C)c(C)c(C)c1C
Molecular Weight1
162.27
CAS
87-85-4
Other Names
  • 1,2,3,4,5,6-Hexamethylbenzene
  • HEXAMETHYLBENZENE
  • MELLITENE

Physical Properties

Property Value Unit Source
ω 0.3960 KDB
PAff 860.60 kJ/mol NIST
BasG 836.00 kJ/mol NIST
Δcliquid -7134.60 ± 7.10 kJ/mol NIST
Δcsolid [-7132.20; -7113.20] kJ/mol Show Hide
Δcsolid -7132.20 ± 1.90 kJ/mol NIST
Δcsolid -7113.20 ± 5.20 kJ/mol NIST
Δcsolid -7131.30 ± 3.00 kJ/mol NIST
EA 0.12 ± 0.02 eV NIST
Δf 114.42 kJ/mol Joback Calculated Property
Δfgas [-78.30; -77.40] kJ/mol Show Hide
Δfgas -77.40 ± 2.50 kJ/mol NIST
Δfgas -78.30 kJ/mol NIST
Δfliquid -142.00 kJ/mol NIST
Δfsolid [-163.30; -162.40] kJ/mol Show Hide
Δfsolid -162.40 ± 2.50 kJ/mol NIST
Δfsolid -163.30 ± 3.10 kJ/mol NIST
Δfus 18.93 kJ/mol Joback Calculated Property
Δsub [74.89; 86.10] kJ/mol Show Hide
Δsub 81.41 ± 0.11 kJ/mol NIST
Δsub 81.40 ± 0.10 kJ/mol NIST
Δsub 85.00 ± 0.20 kJ/mol NIST
Δsub 85.00 kJ/mol NIST
Δsub 85.00 ± 0.20 kJ/mol NIST
Δsub Outlier 74.89 ± 0.63 kJ/mol NIST
Δsub 86.10 kJ/mol NIST
Δvap 68.60 kJ/mol NIST
IE [7.80; 7.95] eV Show Hide
IE 7.85 ± 0.01 eV NIST
IE 7.85 eV NIST
IE 7.87 eV NIST
IE 7.85 ± 0.02 eV NIST
IE 7.85 eV NIST
IE 7.80 eV NIST
IE Outlier 7.95 eV NIST
IE 7.85 eV NIST
IE 7.90 eV NIST
log10WS [-5.23; -5.23]   Show Hide
log10WS -5.23 Aq. Sol...
log10WS -5.23 Estimat...
logPoct/wat 3.537 Crippen Calculated Property
McVol 156.180 ml/mol McGowan Calculated Property
Pc 2240.00 kPa KDB
Inp [1415.00; 1452.40]   Show Hide
Inp 1452.40 NIST
Inp 1416.00 NIST
Inp 1428.00 NIST
Inp 1442.00 NIST
Inp 1415.60 NIST
Inp 1428.20 NIST
Inp 1441.60 NIST
Inp 1415.00 NIST
Inp 1431.00 NIST
Inp 1437.00 NIST
Inp 1431.00 NIST
Inp 1437.00 NIST
Inp 1431.00 NIST
I [1778.00; 1778.00]   Show Hide
I 1778.00 NIST
I 1778.00 NIST
solid,1 bar [302.81; 309.60] J/mol×K Show Hide
solid,1 bar 302.81 J/mol×K NIST
solid,1 bar 306.31 J/mol×K NIST
solid,1 bar 309.60 J/mol×K NIST
Tboil [536.60; 538.20] K Show Hide
Tboil 536.60 K KDB
Tboil 538.20 K NIST
Tboil 536.85 ± 0.60 K NIST
Tc [751.15; 758.00] K Show Hide
Tc 758.00 K KDB
Tc 758.00 ± 1.00 K NIST
Tc 758.00 ± 2.00 K NIST
Tc 751.15 ± 10.00 K NIST
Tfus [438.55; 439.60] K Show Hide
Tfus 439.60 K KDB
Tfus 438.55 K Aq. Sol...
Vc 0.600 m3/kmol KDB
Zc 0.2130740 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [347.90; 429.53] J/mol×K [525.54; 730.53] Show Hide
Cp,gas 347.90 J/mol×K 525.54 Joback Calculated Property
Cp,gas 363.06 J/mol×K 559.70 Joback Calculated Property
Cp,gas 377.58 J/mol×K 593.87 Joback Calculated Property
Cp,gas 391.48 J/mol×K 628.03 Joback Calculated Property
Cp,gas 404.77 J/mol×K 662.20 Joback Calculated Property
Cp,gas 417.45 J/mol×K 696.36 Joback Calculated Property
Cp,gas 429.53 J/mol×K 730.53 Joback Calculated Property
Cp,liquid 370.70 J/mol×K 455.00 NIST
Cp,solid [243.40; 258.50] J/mol×K [293.81; 303.00] Show Hide
Cp,solid 256.10 J/mol×K 293.81 NIST
Cp,solid 254.80 J/mol×K 294.60 NIST
Cp,solid 243.40 J/mol×K 298.15 NIST
Cp,solid 245.64 J/mol×K 298.15 NIST
Cp,solid 252.11 J/mol×K 300.00 NIST
Cp,solid 258.50 J/mol×K 303.00 NIST
η [0.0001772; 0.0008438] Pa×s [314.02; 525.54] Show Hide
η 0.0008438 Pa×s 314.02 Joback Calculated Property
η 0.0005705 Pa×s 349.27 Joback Calculated Property
η 0.0004145 Pa×s 384.53 Joback Calculated Property
η 0.0003177 Pa×s 419.78 Joback Calculated Property
η 0.0002538 Pa×s 455.03 Joback Calculated Property
η 0.0002094 Pa×s 490.29 Joback Calculated Property
η 0.0001772 Pa×s 525.54 Joback Calculated Property
ΔfusH [1.76; 20.63] kJ/mol [383.70; 438.70] Show Hide
ΔfusH 1.76 kJ/mol 383.70 NIST
ΔfusH 20.63 kJ/mol 438.70 NIST
ΔfusH 20.63 kJ/mol 438.70 NIST
ΔsubH [83.20; 85.20] kJ/mol [320.50; 339.00] Show Hide
ΔsubH 85.20 kJ/mol 320.50 NIST
ΔsubH 83.20 kJ/mol 339.00 NIST
ΔvapH [56.80; 68.56] kJ/mol [298.00; 490.00] Show Hide
ΔvapH 68.56 kJ/mol 298.00 Enthalp...
ΔvapH 56.80 kJ/mol 490.00 NIST
Pvap [1.35e-03; 39.04] kPa [298.15; 500.00] Show Hide
Pvap 1.35e-03 kPa 298.15 Enthalp...
Pvap 1.55e-03 kPa 298.15 Enthalp...
Pvap 1.83e-03 kPa 300.00 Enthalp...
Pvap 1.60e-03 kPa 300.00 Enthalp...
Pvap 8.63e-03 kPa 320.00 Enthalp...
Pvap 9.93e-03 kPa 320.00 Enthalp...
Pvap 0.04 kPa 340.00 Enthalp...
Pvap 0.04 kPa 340.00 Enthalp...
Pvap 0.15 kPa 360.00 Enthalp...
Pvap 0.13 kPa 360.00 Enthalp...
Pvap 0.40 kPa 380.00 Enthalp...
Pvap 0.45 kPa 380.00 Enthalp...
Pvap 1.05 kPa 400.00 Enthalp...
Pvap 1.20 kPa 400.00 Enthalp...
Pvap 2.84 kPa 420.00 Enthalp...
Pvap 2.51 kPa 420.00 Enthalp...
Pvap 5.44 kPa 440.00 Enthalp...
Pvap 6.11 kPa 440.00 Enthalp...
Pvap 10.89 kPa 460.00 Enthalp...
Pvap 12.11 kPa 460.00 Enthalp...
Pvap 22.41 kPa 480.00 Enthalp...
Pvap 20.35 kPa 480.00 Enthalp...
Pvap 39.04 kPa 500.00 Enthalp...
Pvap 35.86 kPa 500.00 Enthalp...
ΔfusS [4.58; 47.02] J/mol×K [383.70; 438.70] Show Hide
ΔfusS 4.58 J/mol×K 383.70 NIST
ΔfusS 47.02 J/mol×K 438.70 NIST
γ 0.02 N/m 453.20 KDB

Similar Compounds

Hexamethylbenzene, deuterated. Pentamethylbenzaldehyde. Benzene, (chloromethyl)pentamethyl-. Benzene, 1,4-bis(chloromethyl)-2,3,5,6-tetramethyl-. Benzene, 1,3,5-tris(chloromethyl)-2,4,6-trimethyl-. 1,3-Dimethyl-2,4,5,6-tetrakis(chloromethyl)benzene. 1,2-Dimethyltetrakis(chloromethyl)benzene. Benzene, pentamethyl-. Chloropentamethylbenzene. Benzene, 1,2,4,5-tetramethyl-. Benzene, 1,2,3,5-tetramethyl-. Benzene, 1,2,3,4-tetramethyl-. Pentamethylphenylacetonitrile. Pentamethylbenzoic acid. Durohydroquinone.

Find more compounds similar to Benzene, hexamethyl-.

Sources

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