Chemical Properties of Benzene, hexaethyl- (CAS 604-88-6)

InChI

InChI=1S/C18H30/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h7-12H2,1-6H3

InChI Key

LXSMILGNHYBUCG-UHFFFAOYSA-N

Formula

C18H30

SMILES

CCc1c(CC)c(CC)c(CC)c(CC)c1CC

Molecular Weight¹

246.43

CAS

604-88-6

Other Names

• HEXAETENZEE
• Hexaethylbenzene

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6980		KDB
ΔcH°solid	-11026.60 ± 5.60	kJ/mol	NIST
ΔfG°	164.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-235.67	kJ/mol	Joback Calculated Property
ΔfusH°	34.47	kJ/mol	Joback Calculated Property
ΔsubH°	41.30 ± 0.92	kJ/mol	NIST
ΔvapH°	61.25	kJ/mol	Joback Calculated Property
IE	7.71	eV	NIST
log10WS	-6.29		Crippen Calculated Property
logPoct/wat	5.061		Crippen Calculated Property
McVol	240.720	ml/mol	McGowan Calculated Property
Pc	1380.00	kPa	KDB
Inp	[1658.00; 1706.00]
Inp	1706.00		NIST
Inp	1682.00		NIST
Inp	1699.00		NIST
Inp	1682.00		NIST
Inp	1658.00		NIST
Inp	1689.00		NIST
Inp	1682.00		NIST
Tboil	[571.20; 571.20]	K
Tboil	571.20	K	KDB
Tboil	571.20	K	NIST
Tc	734.80	K	KDB
Tfus	[400.00; 402.30]	K
Tfus	401.00	K	KDB
Tfus	402.30 ± 1.00	K	NIST
Tfus	400.00 ± 2.00	K	NIST
Tfus	401.65 ± 1.00	K	NIST
Vc	0.935	m3/kmol	KDB
Zc	0.2113090		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[654.76; 755.46]	J/mol×K	[662.82; 852.69]
T(K) Ideal gas heat capacity (J/mol×K) 660 680 700 720 740 760 700 750 800 850
Cp,gas	654.76	J/mol×K	662.82	Joback Calculated Property
Cp,gas	673.65	J/mol×K	694.47	Joback Calculated Property
Cp,gas	691.68	J/mol×K	726.11	Joback Calculated Property
Cp,gas	708.85	J/mol×K	757.76	Joback Calculated Property
Cp,gas	725.19	J/mol×K	789.40	Joback Calculated Property
Cp,gas	740.73	J/mol×K	821.05	Joback Calculated Property
Cp,gas	755.46	J/mol×K	852.69	Joback Calculated Property
η	[0.0001184; 0.0008584]	Pa×s	[381.64; 662.82]
T(K) Dynamic viscosity (Pa×s) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 400 500 600
η	0.0008584	Pa×s	381.64	Joback Calculated Property
η	0.0005151	Pa×s	428.50	Joback Calculated Property
η	0.0003418	Pa×s	475.37	Joback Calculated Property
η	0.0002441	Pa×s	522.23	Joback Calculated Property
η	0.0001843	Pa×s	569.09	Joback Calculated Property
η	0.0001452	Pa×s	615.96	Joback Calculated Property
η	0.0001184	Pa×s	662.82	Joback Calculated Property
ΔsubH	95.00 ± 4.00	kJ/mol	339.50	NIST
ΔvapH	62.60	kJ/mol	489.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.31; 201.52]	kPa	[423.15; 606.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55137e+01
Coefficient B			-5.65320e+03
Coefficient C			-5.23390e+01
Temperature range, min.			423.15
Temperature range, max.			606.15
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 600
Pvap	1.31	kPa	423.15	Calculated Property
Pvap	2.89	kPa	443.48	Calculated Property
Pvap	5.90	kPa	463.82	Calculated Property
Pvap	11.27	kPa	484.15	Calculated Property
Pvap	20.30	kPa	504.48	Calculated Property
Pvap	34.77	kPa	524.82	Calculated Property
Pvap	56.96	kPa	545.15	Calculated Property
Pvap	89.74	kPa	565.48	Calculated Property
Pvap	136.57	kPa	585.82	Calculated Property
Pvap	201.52	kPa	606.15	Calculated Property
Pvap	[1.54; 150.61]	kPa	[427.00; 591.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.60815e+01
Coefficient B			-1.05315e+04
Coefficient C			-8.50968e+00
Coefficient D			3.03545e-06
Temperature range, min.			427.00
Temperature range, max.			591.00
T(K) Vapor pressure (kPa) 0 20 40 60 80 100 120 140 160 450 500 550
Pvap	1.54	kPa	427.00	Calculated Property
Pvap	3.10	kPa	445.22	Calculated Property
Pvap	5.88	kPa	463.44	Calculated Property
Pvap	10.53	kPa	481.67	Calculated Property
Pvap	17.99	kPa	499.89	Calculated Property
Pvap	29.44	kPa	518.11	Calculated Property
Pvap	46.40	kPa	536.33	Calculated Property
Pvap	70.71	kPa	554.56	Calculated Property
Pvap	104.58	kPa	572.78	Calculated Property
Pvap	150.61	kPa	591.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, hexaethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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