Chemical Properties of Benzene, 1,2,4-triethyl- (CAS 877-44-1)

InChI

InChI=1S/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h7-9H,4-6H2,1-3H3

InChI Key

WNLWIOJSURYFIB-UHFFFAOYSA-N

Formula

C12H18

SMILES

CCc1ccc(CC)c(CC)c1

Molecular Weight¹

162.27

CAS

877-44-1

Other Names

• 1,2,4-Triethylbenzene

• 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).
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4790		KDB
ΔfG°	143.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-77.42	kJ/mol	Joback Calculated Property
ΔfusH°	20.10	kJ/mol	Joback Calculated Property
ΔvapH°	45.91	kJ/mol	Joback Calculated Property
log10WS	-3.88		Crippen Calculated Property
logPoct/wat	3.374		Crippen Calculated Property
McVol	156.180	ml/mol	McGowan Calculated Property
Pc	2340.00	kPa	KDB
Inp	[1206.30; 1249.00]
Inp	1223.00		NIST
Inp	1223.00		NIST
Inp	1206.30		NIST
Inp	1208.00		NIST
Inp	1206.30		NIST
Inp	1208.00		NIST
Inp	1224.00		NIST
Inp	1223.00		NIST
Inp	1230.90		NIST
Inp	1223.20		NIST
Inp	1225.20		NIST
Inp	1226.00		NIST
Inp	1223.00		NIST
Inp	1223.00		NIST
Inp	Outlier 1249.00		NIST
Inp	1231.00		NIST
Inp	1228.00		NIST
Inp	1223.00		NIST
I	[1478.00; 1526.00]
I	1488.00		NIST
I	1489.00		NIST
I	1501.00		NIST
I	1513.00		NIST
I	1526.00		NIST
I	1478.00		NIST
Tboil	[490.70; 494.20]	K
Tboil	490.70	K	KDB
Tboil	494.20	K	NIST
Tc	684.40	K	KDB
Tfus	207.00	K	KDB
Vc	0.600	m3/kmol	KDB
Zc	0.2465240		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.80; 432.28]	J/mol×K	[510.60; 712.18]
Cp,gas	346.80	J/mol×K	510.60	Joback Calculated Property
Cp,gas	362.94	J/mol×K	544.20	Joback Calculated Property
Cp,gas	378.30	J/mol×K	577.79	Joback Calculated Property
Cp,gas	392.88	J/mol×K	611.39	Joback Calculated Property
Cp,gas	406.73	J/mol×K	644.99	Joback Calculated Property
Cp,gas	419.85	J/mol×K	678.59	Joback Calculated Property
Cp,gas	432.28	J/mol×K	712.18	Joback Calculated Property
η	[0.0001933; 0.0018797]	Pa×s	[276.46; 510.60]
η	0.0018797	Pa×s	276.46	Joback Calculated Property
η	0.0010177	Pa×s	315.48	Joback Calculated Property
η	0.0006307	Pa×s	354.51	Joback Calculated Property
η	0.0004298	Pa×s	393.53	Joback Calculated Property
η	0.0003139	Pa×s	432.55	Joback Calculated Property
η	0.0002414	Pa×s	471.58	Joback Calculated Property
η	0.0001933	Pa×s	510.60	Joback Calculated Property
ΔvapH	51.20	kJ/mol	405.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[372.20; 490.70]	K	[2.00; 101.00]
Tboilr	372.20	K	2.00	NIST
Tboilr	490.70	K	101.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[361.05; 523.00]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47976e+01
Coefficient B			-4.43701e+03
Coefficient C			-5.52640e+01
Temperature range, min.			361.05
Temperature range, max.			523.00
Pvap	1.33	kPa	361.05	Calculated Property
Pvap	2.99	kPa	379.04	Calculated Property
Pvap	6.14	kPa	397.04	Calculated Property
Pvap	11.76	kPa	415.03	Calculated Property
Pvap	21.16	kPa	433.03	Calculated Property
Pvap	36.10	kPa	451.02	Calculated Property
Pvap	58.78	kPa	469.02	Calculated Property
Pvap	91.90	kPa	487.01	Calculated Property
Pvap	138.65	kPa	505.01	Calculated Property
Pvap	202.65	kPa	523.00	Calculated Property
Pvap	[0.13; 157.81]	kPa	[319.15; 511.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.95166e+01
Coefficient B			-8.09603e+03
Coefficient C			-6.32837e+00
Coefficient D			3.27175e-06
Temperature range, min.			319.15
Temperature range, max.			511.00
Pvap	0.13	kPa	319.15	Calculated Property
Pvap	0.46	kPa	340.47	Calculated Property
Pvap	1.33	kPa	361.78	Calculated Property
Pvap	3.39	kPa	383.10	Calculated Property
Pvap	7.74	kPa	404.42	Calculated Property
Pvap	16.15	kPa	425.73	Calculated Property
Pvap	31.21	kPa	447.05	Calculated Property
Pvap	56.48	kPa	468.37	Calculated Property
Pvap	96.70	kPa	489.68	Calculated Property
Pvap	157.81	kPa	511.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,4-triethyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.