Chemical Properties of Pentaethylbenzene (CAS 605-01-6)

InChI

InChI=1S/C16H26/c1-6-12-11-13(7-2)15(9-4)16(10-5)14(12)8-3/h11H,6-10H2,1-5H3

InChI Key

JREJWHNDQOGSQT-UHFFFAOYSA-N

Formula

C16H26

SMILES

CCc1cc(CC)c(CC)c(CC)c1CC

Molecular Weight¹

218.38

CAS

605-01-6

Other Names

• 1-PENTAETHYLBENZENE
• Benzene, pentaethyl-

• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[546.12; 643.08]	J/mol×K	[612.08; 805.10]
T(K) Ideal gas heat capacity (J/mol×K) 540 560 580 600 620 640 650 700 750 800
Cp,gas	546.12	J/mol×K	612.08	Joback Calculated Property
Cp,gas	564.31	J/mol×K	644.25	Joback Calculated Property
Cp,gas	581.66	J/mol×K	676.42	Joback Calculated Property
Cp,gas	598.19	J/mol×K	708.59	Joback Calculated Property
Cp,gas	613.93	J/mol×K	740.76	Joback Calculated Property
Cp,gas	628.88	J/mol×K	772.93	Joback Calculated Property
Cp,gas	643.08	J/mol×K	805.10	Joback Calculated Property
η	[0.0001420; 0.0011135]	Pa×s	[346.58; 612.08]
T(K) Dynamic viscosity (Pa×s) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 1.20e-3 400 500 600
η	0.0011135	Pa×s	346.58	Joback Calculated Property
η	0.0006505	Pa×s	390.83	Joback Calculated Property
η	0.0004239	Pa×s	435.08	Joback Calculated Property
η	0.0002990	Pa×s	479.33	Joback Calculated Property
η	0.0002237	Pa×s	523.58	Joback Calculated Property
η	0.0001751	Pa×s	567.83	Joback Calculated Property
η	0.0001420	Pa×s	612.08	Joback Calculated Property
ΔvapH	56.50	kJ/mol	454.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 1568.81]	kPa	[359.15; 723.64]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			-5.97616e+00
Coefficient B			-5.95488e+03
Coefficient C			3.56766e+00
Coefficient D			-3.68029e-06
Temperature range, min.			359.15
Temperature range, max.			723.64
T(K) Vapor pressure (kPa) 0 200 400 600 800 1000 1200 1400 1600 400 500 600 700
Pvap	0.13	kPa	359.15	Calculated Property
Pvap	0.91	kPa	399.65	Calculated Property
Pvap	4.47	kPa	440.15	Calculated Property
Pvap	16.69	kPa	480.65	Calculated Property
Pvap	50.26	kPa	521.15	Calculated Property
Pvap	127.32	kPa	561.64	Calculated Property
Pvap	279.99	kPa	602.14	Calculated Property
Pvap	547.12	kPa	642.64	Calculated Property
Pvap	967.23	kPa	683.14	Calculated Property
Pvap	1568.81	kPa	723.64	Calculated Property

Similar Compounds

Find more compounds similar to Pentaethylbenzene.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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