Chemical Properties of Benzene, 1-ethyl-3,5-dimethyl- (CAS 934-74-7)

InChI

InChI=1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3

InChI Key

LMAUULKNZLEMGN-UHFFFAOYSA-N

Formula

C10H14

SMILES

CCc1cc(C)cc(C)c1

Molecular Weight¹

134.22

CAS

934-74-7

Other Names

• 1,3-Dimethyl-5-ethylbenzene
• 1-Ethyl-3,5-dimethylbenzene
• 5-Ethyl m-xylene
• 5-Ethyl-1,3-dimethylbenzene
• 5-Ethyl-m-xylene
• m-Xylene, 5-ethyl-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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_p : 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	0.4692		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔcH°liquid	[-5848.70; -5848.10]	kJ/mol
ΔcH°liquid	-5848.10 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-5848.70 ± 2.60	kJ/mol	NIST
ΔfG°	126.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-30.43	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-87.80; -87.30]	kJ/mol
ΔfH°liquid	-87.80 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-87.30 ± 2.60	kJ/mol	NIST
ΔfusH°	14.92	kJ/mol	Joback Calculated Property
ΔvapH°	52.40	kJ/mol	NIST
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-3.92		Relay (1.0) Calculated Property
logPoct/wat	2.866		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	2800.62	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[1040.64; 1089.00]
Inp	1050.00		NIST
Inp	1052.20		NIST
Inp	1048.50		NIST
Inp	1048.20		NIST
Inp	1049.10		NIST
Inp	1048.00		NIST
Inp	1053.00		NIST
Inp	1073.00		NIST
Inp	1048.00		NIST
Inp	1048.00		NIST
Inp	1050.00		NIST
Inp	1050.00		NIST
Inp	1042.60		NIST
Inp	1042.70		NIST
Inp	1043.50		NIST
Inp	1046.10		NIST
Inp	1043.46		NIST
Inp	1069.00		NIST
Inp	1074.00		NIST
Inp	Outlier 1079.00		NIST
Inp	1073.00		NIST
Inp	Outlier 1080.00		NIST
Inp	Outlier 1085.00		NIST
Inp	Outlier 1089.00		NIST
Inp	1042.70		NIST
Inp	1048.20		NIST
Inp	1058.20		NIST
Inp	1043.00		NIST
Inp	1076.00		NIST
Inp	1049.75		NIST
Inp	1074.00		NIST
Inp	1049.60		NIST
Inp	1041.30		NIST
Inp	1041.90		NIST
Inp	1044.03		NIST
Inp	1044.15		NIST
Inp	1044.00		NIST
Inp	1040.64		NIST
Inp	1043.33		NIST
Inp	1045.32		NIST
Inp	1056.96		NIST
Inp	1060.10		NIST
Inp	1062.45		NIST
Inp	1043.00		NIST
Inp	1049.00		NIST
Inp	1048.00		NIST
Inp	1053.00		NIST
Inp	1051.00		NIST
Inp	1049.00		NIST
Inp	1048.00		NIST
Inp	1057.00		NIST
Inp	1061.00		NIST
Inp	1065.90		NIST
Inp	1042.00		NIST
Inp	1045.00		NIST
Inp	1044.10		NIST
Inp	1058.00		NIST
Inp	1058.00		NIST
Inp	1059.00		NIST
Inp	1043.00		NIST
Inp	1050.00		NIST
Inp	1043.00		NIST
Inp	1046.00		NIST
Inp	1043.00		NIST
Inp	1044.00		NIST
Inp	1049.75		NIST
Inp	1050.00		NIST
Inp	1048.00		NIST
Inp	1046.10		NIST
Inp	1073.00		NIST
Inp	1048.20		NIST
Inp	1049.00		NIST
Inp	1042.00		NIST
Ip	[1297.00; 1347.00]
Ip	1319.80		NIST
Ip	1297.00		NIST
Ip	1325.90		NIST
Ip	1297.00		NIST
Ip	1319.00		NIST
Ip	Outlier 1347.00		NIST
Ip	1297.00		NIST
Ip	1321.00		NIST
Ip	1309.00		NIST
Ip	1320.00		NIST
Ip	1297.00		NIST
Ip	1320.00		NIST
Ip	1319.00		NIST
Tboil	[456.73; 459.00]	K
Tboil	456.80	K	NIST
Tboil	456.73 ± 0.20	K	NIST
Tboil	Outlier 459.00 ± 4.00	K	NIST
Tboil	456.73 ± 0.20	K	NIST
Tboil	456.73 ± 0.30	K	NIST
Tboil	456.80 ± 0.20	K	NIST
Tboil	456.90 ± 0.10	K	NIST
Tboil	456.80 ± 1.00	K	NIST
Tboil	456.80 ± 0.30	K	NIST
Tboil	456.92 ± 0.30	K	NIST
Tboil	456.80 ± 0.15	K	NIST
Tboil	456.80 ± 0.30	K	NIST
Tboil	456.80 ± 0.30	K	NIST
Tboil	456.90 ± 0.20	K	NIST
Tboil	456.80 ± 0.30	K	NIST
Tc	649.10	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	[188.79; 189.00]	K
Tfus	189.00	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	188.79 ± 0.06	K	NIST
Tfus	188.79 ± 0.04	K	NIST
Tfus	188.82 ± 0.03	K	NIST
Vc	0.458	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[47.50; 48.00]	kJ/mol	[375.50; 411.50]
ΔvapH	47.50	kJ/mol	375.50	NIST
ΔvapH	48.00	kJ/mol	411.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.46; 410.63]	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			-1.15090e+01
Coefficient B			7.55960e-01
Coefficient C			-4.17320e-04
Coefficient D			8.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.46	J/mol×K	273.00	Calculated Property
Cp,gas	207.40	J/mol×K	353.78	Calculated Property
Cp,gas	245.04	J/mol×K	434.56	Calculated Property
Cp,gas	278.66	J/mol×K	515.33	Calculated Property
Cp,gas	308.52	J/mol×K	596.11	Calculated Property
Cp,gas	334.88	J/mol×K	676.89	Calculated Property
Cp,gas	358.01	J/mol×K	757.67	Calculated Property
Cp,gas	378.17	J/mol×K	838.44	Calculated Property
Cp,gas	395.62	J/mol×K	919.22	Calculated Property
Cp,gas	410.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0085264; 0.0002193]	Pa×s	[188.85; 454.37]	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			-1.10285e+01
Coefficient B			1.18294e+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.			188.85
Temperature range, max.			454.37
η	0.0085264	Pa×s	188.85	Calculated Property
η	0.0036577	Pa×s	218.35	Calculated Property
η	0.0019193	Pa×s	247.85	Calculated Property
η	0.0011552	Pa×s	277.36	Calculated Property
η	0.0007666	Pa×s	306.86	Calculated Property
η	0.0005467	Pa×s	336.36	Calculated Property
η	0.0004117	Pa×s	365.86	Calculated Property
η	0.0003234	Pa×s	395.37	Calculated Property
η	0.0002628	Pa×s	424.87	Calculated Property
η	0.0002193	Pa×s	454.37	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[335.39; 486.88]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46255e+01
Coefficient B			-4.02670e+03
Coefficient C			-5.45470e+01
Temperature range, min.			335.39
Temperature range, max.			486.88
Pvap	1.33	kPa	335.39	Calculated Property
Pvap	3.00	kPa	352.22	Calculated Property
Pvap	6.19	kPa	369.05	Calculated Property
Pvap	11.85	kPa	385.89	Calculated Property
Pvap	21.33	kPa	402.72	Calculated Property
Pvap	36.36	kPa	419.55	Calculated Property
Pvap	59.14	kPa	436.38	Calculated Property
Pvap	92.30	kPa	453.22	Calculated Property
Pvap	138.97	kPa	470.05	Calculated Property
Pvap	202.67	kPa	486.88	Calculated Property
Pvap	[2.18e-07; 2815.34]	kPa	[188.82; 655.00]	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			1.08217e+02
Coefficient B			-9.87144e+03
Coefficient C			-1.36532e+01
Coefficient D			7.76907e-06
Coefficient E			0.00000e+00
Temperature range, min.			188.82
Temperature range, max.			655.00
Pvap	2.18e-07	kPa	188.82	Calculated Property
Pvap	7.30e-04	kPa	240.62	Calculated Property
Pvap	0.09	kPa	292.42	Calculated Property
Pvap	2.03	kPa	344.21	Calculated Property
Pvap	17.15	kPa	396.01	Calculated Property
Pvap	80.37	kPa	447.81	Calculated Property
Pvap	259.53	kPa	499.61	Calculated Property
Pvap	659.21	kPa	551.40	Calculated Property
Pvap	1432.45	kPa	603.20	Calculated Property
Pvap	2815.34	kPa	655.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-ethyl-3,5-dimethyl-.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• 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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