Chemical Properties of BENZENE, 1,2,4,5-TETRAETHYL- (CAS 635-81-4)

InChI

InChI=1S/C14H22/c1-5-11-9-13(7-3)14(8-4)10-12(11)6-2/h9-10H,5-8H2,1-4H3

InChI Key

NSOYZSQQDPNCAC-UHFFFAOYSA-N

Formula

C14H22

SMILES

CCc1cc(CC)c(CC)cc1CC

Molecular Weight¹

190.33

CAS

635-81-4

Other Names

• 1,2,4,5-Tetraethylbenzene

• ω : Acentric Factor.
• 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).
• 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

Property	Value	Unit	Source
ω	0.5597		Relay (1.0) Calculated Property
ΔfG°	150.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-106.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.89	kJ/mol	Joback Calculated Property
ΔvapH°	69.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-5.63		Relay (1.0) Calculated Property
logPoct/wat	3.936		Crippen Calculated Property
McVol	184.360	ml/mol	McGowan Calculated Property
Pc	1930.44	kPa	Joback Calculated Property
Inp	1388.00		NIST
Tboil	522.16	K	Relay (1.0) Calculated Property
Tc	711.30	K	Relay (1.0) Calculated Property
Tfus	[283.00; 283.00]	K
Tfus	283.00 ± 2.00	K	NIST
Tfus	283.00 ± 2.00	K	NIST
Vc	0.705	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.87; 613.95]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.46000e-01
Coefficient B			1.07648e+00
Coefficient C			-5.67880e-04
Coefficient D			1.06200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.87	J/mol×K	273.00	Calculated Property
Cp,gas	313.62	J/mol×K	353.78	Calculated Property
Cp,gas	368.42	J/mol×K	434.56	Calculated Property
Cp,gas	417.62	J/mol×K	515.33	Calculated Property
Cp,gas	461.56	J/mol×K	596.11	Calculated Property
Cp,gas	500.56	J/mol×K	676.89	Calculated Property
Cp,gas	534.96	J/mol×K	757.67	Calculated Property
Cp,gas	565.11	J/mol×K	838.44	Calculated Property
Cp,gas	591.32	J/mol×K	919.22	Calculated Property
Cp,gas	613.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023544; 0.0001953]	Pa×s	[283.00; 531.09]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.13812e+01
Coefficient B			1.50832e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			283.00
Temperature range, max.			531.09
η	0.0023544	Pa×s	283.00	Calculated Property
η	0.0014670	Pa×s	310.57	Calculated Property
η	0.0009873	Pa×s	338.13	Calculated Property
η	0.0007054	Pa×s	365.70	Calculated Property
η	0.0005283	Pa×s	393.26	Calculated Property
η	0.0004109	Pa×s	420.83	Calculated Property
η	0.0003297	Pa×s	448.39	Calculated Property
η	0.0002713	Pa×s	475.96	Calculated Property
η	0.0002281	Pa×s	503.53	Calculated Property
η	0.0001953	Pa×s	531.09	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[386.16; 570.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42990e+01
Coefficient B			-4.63058e+03
Coefficient C			-5.56700e+01
Temperature range, min.			386.16
Temperature range, max.			570.90
Pvap	1.33	kPa	386.16	Calculated Property
Pvap	3.03	kPa	406.69	Calculated Property
Pvap	6.27	kPa	427.21	Calculated Property
Pvap	12.04	kPa	447.74	Calculated Property
Pvap	21.67	kPa	468.27	Calculated Property
Pvap	36.89	kPa	488.79	Calculated Property
Pvap	59.83	kPa	509.32	Calculated Property
Pvap	93.08	kPa	529.85	Calculated Property
Pvap	139.58	kPa	550.37	Calculated Property
Pvap	202.67	kPa	570.90	Calculated Property

Similar Compounds

Find more compounds similar to BENZENE, 1,2,4,5-TETRAETHYL-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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