Chemical Properties of Benzene, 1-ethyl-2,3-dimethyl- (CAS 933-98-2)

InChI

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

InChI Key

QUBBAXISAHIDNM-UHFFFAOYSA-N

Formula

C10H14

SMILES

CCc1cccc(C)c1C

Molecular Weight¹

134.22

CAS

933-98-2

Other Names

• 1,2-Dimethyl-3-ethylbenzene
• 1-Ethyl-2,3-dimethylbenzene
• 3-Ethyl-1,2-dimethylbenzene
• 3-Ethyl-o-xylene
• o-Xylene, 3-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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4070		KDB
ΔcH°liquid	[-5855.40; -5853.00]	kJ/mol
ΔcH°liquid	-5855.40 ± 1.20	kJ/mol	NIST
ΔcH°liquid	-5853.00 ± 2.60	kJ/mol	NIST
ΔfG°	126.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-34.19	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-83.00; -80.50]	kJ/mol
ΔfH°liquid	-80.50 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-83.00 ± 2.60	kJ/mol	NIST
ΔfusH°	14.92	kJ/mol	Joback Calculated Property
ΔvapH°	54.90	kJ/mol	NIST
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-3.67		Relay (1.0) Calculated Property
logPoct/wat	2.866		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	2929.00	kPa	KDB
Inp	[1051.00; 1125.00]
Inp	1095.40		NIST
Inp	1094.00		NIST
Inp	1101.00		NIST
Inp	1120.00		NIST
Inp	1094.00		NIST
Inp	1095.00		NIST
Inp	1083.50		NIST
Inp	1084.30		NIST
Inp	1080.77		NIST
Inp	1104.00		NIST
Inp	1106.00		NIST
Inp	1109.00		NIST
Inp	1108.00		NIST
Inp	1110.00		NIST
Inp	1113.00		NIST
Inp	1115.00		NIST
Inp	1119.00		NIST
Inp	1082.50		NIST
Inp	1088.10		NIST
Inp	1087.00		NIST
Inp	Outlier 1125.00		NIST
Inp	1093.15		NIST
Inp	1094.00		NIST
Inp	1096.50		NIST
Inp	1094.00		NIST
Inp	1085.80		NIST
Inp	1088.40		NIST
Inp	1090.00		NIST
Inp	1087.00		NIST
Inp	1094.00		NIST
Inp	1082.00		NIST
Inp	1089.00		NIST
Inp	Outlier 1061.00		NIST
Inp	1081.00		NIST
Inp	1090.00		NIST
Inp	1099.00		NIST
Inp	1095.00		NIST
Inp	1106.00		NIST
Inp	1106.00		NIST
Inp	1093.00		NIST
Inp	Outlier 1051.00		NIST
Inp	1072.00		NIST
Inp	1088.00		NIST
Inp	1113.10		NIST
Inp	1085.00		NIST
Inp	1088.00		NIST
Inp	1104.00		NIST
Inp	1107.00		NIST
Inp	1084.00		NIST
Inp	1093.00		NIST
Inp	1094.00		NIST
Inp	1090.00		NIST
Inp	1104.00		NIST
Inp	1090.00		NIST
Inp	1096.50		NIST
Inp	1087.00		NIST
Inp	1095.00		NIST
Inp	1072.00		NIST
I	[1352.00; 1430.80]
I	1395.00		NIST
I	1394.80		NIST
I	1368.90		NIST
I	Outlier 1430.80		NIST
I	1362.00		NIST
I	1374.00		NIST
I	1369.00		NIST
I	1364.00		NIST
I	1362.00		NIST
I	1352.00		NIST
I	1369.00		NIST
I	1390.00		NIST
I	1395.00		NIST
I	1369.00		NIST
I	1394.80		NIST
I	1352.00		NIST
Tboil	[462.90; 467.20]	K
Tboil	Outlier 462.90	K	KDB
Tboil	467.20	K	NIST
Tboil	467.06 ± 0.10	K	NIST
Tboil	467.05 ± 0.20	K	NIST
Tboil	466.95 ± 0.30	K	NIST
Tboil	466.95 ± 0.20	K	NIST
Tboil	467.06 ± 0.10	K	NIST
Tboil	466.95 ± 0.30	K	NIST
Tboil	466.95 ± 0.30	K	NIST
Tboil	466.95 ± 0.30	K	NIST
Tboil	467.13 ± 0.30	K	NIST
Tboil	467.06 ± 0.20	K	NIST
Tboil	466.95 ± 0.30	K	NIST
Tc	665.10	K	KDB
Tfus	223.61 ± 0.20	K	NIST
Vc	0.446	m3/kmol	KDB
Zc	0.2364390		KDB

Temperature Dependent Properties

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	[0.0032202; 0.0002060]	Pa×s	[223.61; 465.57]	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
Temperature range, min.			223.61
Temperature range, max.			465.57
η	0.0032202	Pa×s	223.61	Calculated Property
η	0.0018252	Pa×s	250.49	Calculated Property
η	0.0011548	Pa×s	277.38	Calculated Property
η	0.0007923	Pa×s	304.26	Calculated Property
η	0.0005778	Pa×s	331.15	Calculated Property
η	0.0004419	Pa×s	358.03	Calculated Property
η	0.0003508	Pa×s	384.92	Calculated Property
η	0.0002870	Pa×s	411.80	Calculated Property
η	0.0002407	Pa×s	438.69	Calculated Property
η	0.0002060	Pa×s	465.57	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[342.07; 498.25]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43482e+01
Coefficient B			-3.94990e+03
Coefficient C			-6.11560e+01
Temperature range, min.			342.07
Temperature range, max.			498.25
Pvap	1.33	kPa	342.07	Calculated Property
Pvap	3.02	kPa	359.42	Calculated Property
Pvap	6.26	kPa	376.78	Calculated Property
Pvap	12.01	kPa	394.13	Calculated Property
Pvap	21.61	kPa	411.48	Calculated Property
Pvap	36.80	kPa	428.84	Calculated Property
Pvap	59.72	kPa	446.19	Calculated Property
Pvap	92.95	kPa	463.54	Calculated Property
Pvap	139.48	kPa	480.90	Calculated Property
Pvap	202.66	kPa	498.25	Calculated Property
Pvap	[4.72e-05; 2879.61]	kPa	[223.64; 680.00]	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			8.31621e+01
Coefficient B			-9.06264e+03
Coefficient C			-9.75815e+00
Coefficient D			3.83702e-06
Coefficient E			0.00000e+00
Temperature range, min.			223.64
Temperature range, max.			680.00
Pvap	4.72e-05	kPa	223.64	Calculated Property
Pvap	0.01	kPa	274.35	Calculated Property
Pvap	0.47	kPa	325.05	Calculated Property
Pvap	5.64	kPa	375.76	Calculated Property
Pvap	33.74	kPa	426.47	Calculated Property
Pvap	128.56	kPa	477.17	Calculated Property
Pvap	361.69	kPa	527.88	Calculated Property
Pvap	825.22	kPa	578.59	Calculated Property
Pvap	1624.56	kPa	629.29	Calculated Property
Pvap	2879.61	kPa	680.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-ethyl-2,3-dimethyl-.

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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