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).
• 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.
• 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	-61.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.10	kJ/mol	Joback Calculated Property
ΔvapH°	63.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-4.68		Relay (1.0) 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
Inp	1228.00		NIST
Inp	1223.00		NIST
Inp	1208.00		NIST
Inp	1223.20		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
I	1488.00		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

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
Cp,gas	[207.89; 513.81]	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			-1.33270e+01
Coefficient B			9.45960e-01
Coefficient C			-5.26120e-04
Coefficient D			1.07300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.89	J/mol×K	273.00	Calculated Property
Cp,gas	260.24	J/mol×K	353.78	Calculated Property
Cp,gas	307.20	J/mol×K	434.56	Calculated Property
Cp,gas	349.12	J/mol×K	515.33	Calculated Property
Cp,gas	386.34	J/mol×K	596.11	Calculated Property
Cp,gas	419.20	J/mol×K	676.89	Calculated Property
Cp,gas	448.04	J/mol×K	757.67	Calculated Property
Cp,gas	473.20	J/mol×K	838.44	Calculated Property
Cp,gas	495.01	J/mol×K	919.22	Calculated Property
Cp,gas	513.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0099294; 0.0002307]	Pa×s	[207.00; 479.08]	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			-1.12367e+01
Coefficient B			1.37126e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			207.00
Temperature range, max.			479.08
η	0.0099294	Pa×s	207.00	Calculated Property
η	0.0042688	Pa×s	237.23	Calculated Property
η	0.0022211	Pa×s	267.46	Calculated Property
η	0.0013196	Pa×s	297.69	Calculated Property
η	0.0008630	Pa×s	327.92	Calculated Property
η	0.0006064	Pa×s	358.16	Calculated Property
η	0.0004501	Pa×s	388.39	Calculated Property
η	0.0003488	Pa×s	418.62	Calculated Property
η	0.0002797	Pa×s	448.85	Calculated Property
η	0.0002307	Pa×s	479.08	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[361.05; 523.00]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			5.95166e+01
Coefficient B			-8.09603e+03
Coefficient C			-6.32837e+00
Coefficient D			3.27175e-06
Coefficient E			0.00000e+00
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
Pvap	[0.13; 99.83]	kPa	[319.00; 491.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54356e+01
Coefficient B			-4.91270e+03
Coefficient C			-3.74690e+01
Reference			Stull, 1947
Temperature range, min.			319.00
Temperature range, max.			491.00
Pvap	0.13	kPa	319.00	Calculated Property
Pvap	0.40	kPa	338.11	Calculated Property
Pvap	1.07	kPa	357.22	Calculated Property
Pvap	2.55	kPa	376.33	Calculated Property
Pvap	5.54	kPa	395.44	Calculated Property
Pvap	11.11	kPa	414.56	Calculated Property
Pvap	20.82	kPa	433.67	Calculated Property
Pvap	36.84	kPa	452.78	Calculated Property
Pvap	61.99	kPa	471.89	Calculated Property
Pvap	99.83	kPa	491.00	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• 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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