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-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[546.24; 643.19]	J/mol×K	[612.28; 805.36]
Cp,gas	546.24	J/mol×K	612.28	Joback Calculated Property
Cp,gas	564.43	J/mol×K	644.46	Joback Calculated Property
Cp,gas	581.78	J/mol×K	676.64	Joback Calculated Property
Cp,gas	598.31	J/mol×K	708.82	Joback Calculated Property
Cp,gas	614.04	J/mol×K	741.00	Joback Calculated Property
Cp,gas	628.99	J/mol×K	773.18	Joback Calculated Property
Cp,gas	643.19	J/mol×K	805.36	Joback Calculated Property
η	[0.0001419; 0.0011135]	Pa×s	[346.58; 612.28]
η	0.0011135	Pa×s	346.58	Joback Calculated Property
η	0.0006503	Pa×s	390.86	Joback Calculated Property
η	0.0004237	Pa×s	435.15	Joback Calculated Property
η	0.0002988	Pa×s	479.43	Joback Calculated Property
η	0.0002235	Pa×s	523.71	Joback Calculated Property
η	0.0001750	Pa×s	568.00	Joback Calculated Property
η	0.0001419	Pa×s	612.28	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 Vapor Pressure Data
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
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
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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