Chemical Properties of Benzene, 2-ethyl-1,3-dimethyl- (CAS 2870-04-4)

InChI

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

InChI Key

CHIKRULMSSADAF-UHFFFAOYSA-N

Formula

C10H14

SMILES

CCc1c(C)cccc1C

Molecular Weight¹

134.22

CAS

2870-04-4

Other Names

• 1,3-DIMETHYL-2-ETHYLBENZENE
• 2-Ethyl-1,3-dimethylbenzene
• 2-ethyl-m-xylene
• m-Xylene, 2-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).
• 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	0.4050		KDB
ΔcH°liquid	[-5855.80; -5853.00]	kJ/mol
ΔcH°liquid	-5855.80 ± 1.10	kJ/mol	NIST
ΔcH°liquid	-5853.00 ± 2.60	kJ/mol	NIST
ΔfG°	126.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-36.14	kJ/mol	Joback Calculated Property
ΔfH°liquid	[-83.00; -80.10]	kJ/mol
ΔfH°liquid	-80.10 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-83.00 ± 2.60	kJ/mol	NIST
ΔfusH°	14.92	kJ/mol	Joback Calculated Property
ΔvapH°	53.90	kJ/mol	NIST
log10WS	-3.23		Crippen Calculated Property
logPoct/wat	2.866		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	2929.00	kPa	KDB
Inp	[1029.00; 1120.00]
Inp	1081.60		NIST
Inp	1084.70		NIST
Inp	1078.00		NIST
Inp	1069.60		NIST
Inp	1064.97		NIST
Inp	1070.40		NIST
Inp	1072.00		NIST
Inp	1099.20		NIST
Inp	1073.00		NIST
Inp	1105.00		NIST
Inp	1080.75		NIST
Inp	1082.00		NIST
Inp	1087.00		NIST
Inp	Outlier 1120.00		NIST
Inp	1081.80		NIST
Inp	1100.00		NIST
Inp	1072.10		NIST
Inp	1075.70		NIST
Inp	1076.00		NIST
Inp	1073.00		NIST
Inp	1082.00		NIST
Inp	1075.00		NIST
Inp	1081.00		NIST
Inp	1061.00		NIST
Inp	1086.00		NIST
Inp	1082.00		NIST
Inp	Outlier 1032.00		NIST
Inp	Outlier 1029.00		NIST
Inp	Outlier 1029.00		NIST
Inp	1074.00		NIST
Inp	1075.00		NIST
Inp	1097.10		NIST
Inp	1062.00		NIST
Inp	1072.00		NIST
Inp	1070.00		NIST
Inp	1070.00		NIST
Inp	1081.00		NIST
Inp	1086.00		NIST
Inp	1080.00		NIST
Inp	1070.00		NIST
Inp	1086.00		NIST
Inp	1074.00		NIST
I	[1347.50; 1372.10]
I	1372.10		NIST
I	1347.50		NIST
I	1363.00		NIST
I	1348.00		NIST
I	1372.00		NIST
I	1348.00		NIST
I	1372.00		NIST
I	1355.00		NIST
I	1363.00		NIST
I	1348.00		NIST
I	1372.10		NIST
Tboil	[456.90; 463.20]	K
Tboil	Outlier 456.90	K	KDB
Tboil	463.20	K	NIST
Tboil	463.16 ± 0.20	K	NIST
Tboil	463.20 ± 1.00	K	NIST
Tboil	463.10 ± 0.20	K	NIST
Tboil	463.10 ± 0.30	K	NIST
Tboil	463.10 ± 0.15	K	NIST
Tboil	463.16 ± 0.20	K	NIST
Tboil	463.10 ± 0.30	K	NIST
Tc	665.10	K	KDB
Tfus	256.81 ± 0.20	K	NIST
Vc	0.446	m3/kmol	KDB
Zc	0.2363340		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.11; 333.41]	J/mol×K	[464.84; 672.09]
Cp,gas	258.11	J/mol×K	464.84	Joback Calculated Property
Cp,gas	272.33	J/mol×K	499.38	Joback Calculated Property
Cp,gas	285.86	J/mol×K	533.92	Joback Calculated Property
Cp,gas	298.71	J/mol×K	568.47	Joback Calculated Property
Cp,gas	310.90	J/mol×K	603.01	Joback Calculated Property
Cp,gas	322.46	J/mol×K	637.55	Joback Calculated Property
Cp,gas	333.41	J/mol×K	672.09	Joback Calculated Property
η	[0.0002068; 0.0017125]	Pa×s	[253.92; 464.84]
η	0.0017125	Pa×s	253.92	Joback Calculated Property
η	0.0009718	Pa×s	289.07	Joback Calculated Property
η	0.0006236	Pa×s	324.23	Joback Calculated Property
η	0.0004364	Pa×s	359.38	Joback Calculated Property
η	0.0003255	Pa×s	394.53	Joback Calculated Property
η	0.0002547	Pa×s	429.69	Joback Calculated Property
η	0.0002068	Pa×s	464.84	Joback Calculated Property
ΔvapH	[48.60; 48.80]	kJ/mol	[380.00; 417.00]
ΔvapH	48.60	kJ/mol	380.00	NIST
ΔvapH	48.80	kJ/mol	417.00	NIST
ρl	885.86	kg/m3	293.10	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[341.33; 493.26]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45844e+01
Coefficient B			-4.00908e+03
Coefficient C			-6.09150e+01
Temperature range, min.			341.33
Temperature range, max.			493.26
Pvap	1.33	kPa	341.33	Calculated Property
Pvap	3.00	kPa	358.21	Calculated Property
Pvap	6.20	kPa	375.09	Calculated Property
Pvap	11.88	kPa	391.97	Calculated Property
Pvap	21.37	kPa	408.85	Calculated Property
Pvap	36.42	kPa	425.74	Calculated Property
Pvap	59.22	kPa	442.62	Calculated Property
Pvap	92.39	kPa	459.50	Calculated Property
Pvap	139.03	kPa	476.38	Calculated Property
Pvap	202.65	kPa	493.26	Calculated Property
Pvap	[2.83e-03; 3015.06]	kPa	[256.89; 671.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.01218e+02
Coefficient B			-9.75905e+03
Coefficient C			-1.25287e+01
Coefficient D			6.40530e-06
Temperature range, min.			256.89
Temperature range, max.			671.00
Pvap	2.83e-03	kPa	256.89	Calculated Property
Pvap	0.14	kPa	302.90	Calculated Property
Pvap	1.96	kPa	348.91	Calculated Property
Pvap	13.47	kPa	394.93	Calculated Property
Pvap	57.10	kPa	440.94	Calculated Property
Pvap	175.21	kPa	486.95	Calculated Property
Pvap	430.76	kPa	532.96	Calculated Property
Pvap	907.78	kPa	578.98	Calculated Property
Pvap	1717.59	kPa	624.99	Calculated Property
Pvap	3015.06	kPa	671.00	Calculated Property

Similar Compounds

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

Sources

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

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