Chemical Properties of Benzene, 1-ethyl-3-methyl- (CAS 620-14-4)

InChI

InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3

InChI Key

ZLCSFXXPPANWQY-UHFFFAOYSA-N

Formula

C9H12

SMILES

CCc1cccc(C)c1

Molecular Weight¹

120.19

CAS

620-14-4

Other Names

• 1,3-Methylethylbenzene
• 1,3-ethylmethylbenzene
• 1-ETHYL-3-METHYLBENZENE
• 1-METHYL-3-ETHYLBENZENE
• 3-Ethyl-1-methylbenzene
• 3-Ethylmethylbenzene
• 3-Ethyltoluene
• 3-Methylethylbenzene
• Benzene, 3-ethyl-1-methyl-
• M-ETHYLMETHYLBENZENE
• NSC 74176
• Toluene, m-ethyl-
• benzene, 1-methyl-3-ethyl-
• m-Ethyltoluene
• m-Methylethylbenzene
• meta-Ethyltoluene

• 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_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• NFPA Fire : NFPA Fire Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• 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	0.3600		KDB
ΔcH°liquid	-5207.90 ± 1.10	kJ/mol	NIST
ΔfG°	126.50	kJ/mol	KDB
Δc,grossH	5207.87	kJ/mol	KDB
Δc,netH	4943.773	kJ/mol	KDB
ΔfH°gas	[-1.93; -1.90]	kJ/mol
ΔfH°gas	-1.93	kJ/mol	KDB
ΔfH°gas	-1.90 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-48.80 ± 1.20	kJ/mol	NIST
ΔfusH°	12.72	kJ/mol	Joback Calculated Property
ΔvapH°	[46.60; 46.90]	kJ/mol
ΔvapH°	46.60	kJ/mol	NIST
ΔvapH°	46.90	kJ/mol	NIST
ΔvapH°	46.90	kJ/mol	NIST
log10WS	-2.75		Crippen Calculated Property
logPoct/wat	2.557		Crippen Calculated Property
McVol	113.910	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
Pc	2840.00	kPa	KDB
Inp	[145.20; 973.00]
Inp	940.40		NIST
Inp	945.00		NIST
Inp	945.67		NIST
Inp	955.80		NIST
Inp	943.00		NIST
Inp	944.00		NIST
Inp	954.00		NIST
Inp	954.00		NIST
Inp	954.80		NIST
Inp	954.40		NIST
Inp	955.40		NIST
Inp	955.00		NIST
Inp	955.00		NIST
Inp	960.00		NIST
Inp	973.00		NIST
Inp	955.00		NIST
Inp	955.00		NIST
Inp	949.00		NIST
Inp	949.00		NIST
Inp	946.00		NIST
Inp	945.00		NIST
Inp	945.50		NIST
Inp	949.00		NIST
Inp	967.00		NIST
Inp	952.00		NIST
Inp	956.00		NIST
Inp	961.00		NIST
Inp	967.00		NIST
Inp	945.90		NIST
Inp	947.40		NIST
Inp	955.90		NIST
Inp	961.30		NIST
Inp	967.00		NIST
Inp	953.00		NIST
Inp	945.30		NIST
Inp	945.90		NIST
Inp	946.00		NIST
Inp	945.50		NIST
Inp	945.90		NIST
Inp	945.90		NIST
Inp	947.40		NIST
Inp	950.00		NIST
Inp	946.40		NIST
Inp	946.40		NIST
Inp	943.07		NIST
Inp	950.00		NIST
Inp	948.20		NIST
Inp	948.20		NIST
Inp	948.60		NIST
Inp	955.00		NIST
Inp	948.00		NIST
Inp	952.70		NIST
Inp	952.10		NIST
Inp	945.60		NIST
Inp	963.90		NIST
Inp	954.00		NIST
Inp	945.00		NIST
Inp	952.00		NIST
Inp	952.00		NIST
Inp	973.00		NIST
Inp	954.30		NIST
Inp	951.00		NIST
Inp	969.00		NIST
Inp	965.00		NIST
Inp	952.10		NIST
Inp	968.00		NIST
Inp	958.50		NIST
Inp	958.60		NIST
Inp	955.00		NIST
Inp	958.50		NIST
Inp	960.80		NIST
Inp	968.20		NIST
Inp	946.70		NIST
Inp	943.20		NIST
Inp	950.40		NIST
Inp	955.00		NIST
Inp	958.50		NIST
Inp	960.80		NIST
Inp	958.50		NIST
Inp	958.60		NIST
Inp	946.60		NIST
Inp	946.91		NIST
Inp	947.00		NIST
Inp	957.00		NIST
Inp	946.84		NIST
Inp	943.22		NIST
Inp	946.06		NIST
Inp	947.75		NIST
Inp	958.89		NIST
Inp	962.63		NIST
Inp	964.24		NIST
Inp	945.00		NIST
Inp	958.00		NIST
Inp	971.04		NIST
Inp	956.00		NIST
Inp	948.00		NIST
Inp	950.00		NIST
Inp	956.00		NIST
Inp	956.00		NIST
Inp	961.00		NIST
Inp	961.00		NIST
Inp	947.00		NIST
Inp	938.00		NIST
Inp	954.00		NIST
Inp	958.00		NIST
Inp	951.00		NIST
Inp	961.00		NIST
Inp	960.00		NIST
Inp	964.00		NIST
Inp	953.00		NIST
Inp	967.00		NIST
Inp	944.00		NIST
Inp	956.00		NIST
Inp	948.42		NIST
Inp	952.00		NIST
Inp	947.00		NIST
Inp	950.00		NIST
Inp	967.40		NIST
Inp	953.00		NIST
Inp	940.00		NIST
Inp	943.00		NIST
Inp	944.00		NIST
Inp	941.00		NIST
Inp	945.00		NIST
Inp	955.00		NIST
Inp	946.40		NIST
Inp	947.00		NIST
Inp	960.00		NIST
Inp	964.00		NIST
Inp	969.00		NIST
Inp	963.00		NIST
Inp	968.00		NIST
Inp	957.00		NIST
Inp	957.00		NIST
Inp	949.00		NIST
Inp	970.00		NIST
Inp	955.00		NIST
Inp	943.00		NIST
Inp	945.00		NIST
Inp	949.00		NIST
Inp	953.00		NIST
Inp	947.00		NIST
Inp	946.00		NIST
Inp	950.00		NIST
Inp	948.70		NIST
Inp	939.00		NIST
Inp	945.00		NIST
Inp	969.00		NIST
Inp	945.00		NIST
Inp	946.00		NIST
Inp	Outlier 145.20		NIST
Inp	Outlier 147.30		NIST
Inp	958.00		NIST
Inp	Outlier 145.20		NIST
Inp	969.00		NIST
Inp	958.60		NIST
Inp	946.70		NIST
Inp	960.80		NIST
Inp	947.00		NIST
Inp	947.75		NIST
Inp	954.30		NIST
I	[1200.00; 1269.00]
I	1200.00		NIST
I	1202.00		NIST
I	1224.90		NIST
I	1219.10		NIST
I	1203.30		NIST
I	1216.00		NIST
I	1218.00		NIST
I	1235.00		NIST
I	1248.10		NIST
I	1228.00		NIST
I	1228.00		NIST
I	1219.00		NIST
I	1231.00		NIST
I	1226.00		NIST
I	Outlier 1260.00		NIST
I	1225.00		NIST
I	1228.00		NIST
I	1221.00		NIST
I	1221.00		NIST
I	1223.00		NIST
I	1222.00		NIST
I	1230.00		NIST
I	1232.00		NIST
I	1234.00		NIST
I	1235.00		NIST
I	1236.00		NIST
I	1248.00		NIST
I	Outlier 1261.00		NIST
I	Outlier 1269.00		NIST
I	1225.00		NIST
I	1203.00		NIST
I	Outlier 1267.00		NIST
I	1200.00		NIST
I	1212.00		NIST
I	1246.00		NIST
I	1222.00		NIST
I	1222.00		NIST
I	1231.00		NIST
I	1220.00		NIST
I	1208.00		NIST
I	1209.00		NIST
I	1225.00		NIST
I	1203.00		NIST
I	1225.00		NIST
I	1230.00		NIST
I	1209.00		NIST
I	1216.00		NIST
I	1228.00		NIST
I	1225.00		NIST
I	1222.00		NIST
I	1200.00		NIST
Tboil	[404.53; 435.85]	K
Tboil	434.50	K	KDB
Tboil	431.70	K	NIST
Tboil	434.50	K	NIST
Tboil	435.85 ± 1.50	K	NIST
Tboil	432.00 ± 4.00	K	NIST
Tboil	434.00 ± 3.00	K	NIST
Tboil	434.44 ± 0.20	K	NIST
Tboil	434.60 ± 1.00	K	NIST
Tboil	434.45 ± 0.03	K	NIST
Tboil	434.45 ± 0.15	K	NIST
Tboil	434.40 ± 0.25	K	NIST
Tboil	434.53 ± 0.20	K	NIST
Tboil	434.52 ± 0.50	K	NIST
Tboil	Outlier 404.53 ± 0.40	K	NIST
Tboil	434.55 ± 0.30	K	NIST
Tboil	434.45 ± 0.15	K	NIST
Tboil	434.44 ± 0.20	K	NIST
Tboil	434.44 ± 0.20	K	NIST
Tboil	434.50 ± 0.30	K	NIST
Tboil	434.60 ± 0.20	K	NIST
Tboil	434.44 ± 0.20	K	NIST
Tboil	434.52 ± 0.30	K	NIST
Tboil	434.44 ± 0.20	K	NIST
Tboil	434.60 ± 0.20	K	NIST
Tboil	434.60 ± 0.20	K	NIST
Tboil	434.60 ± 0.20	K	NIST
Tboil	434.70 ± 0.20	K	NIST
Tboil	431.00 ± 4.00	K	NIST
Tboil	432.70 ± 2.00	K	NIST
Tboil	435.20 ± 2.00	K	NIST
Tc	637.00	K	KDB
Tfus	177.60	K	KDB
Vc	0.490	m3/kmol	KDB
Zc	0.2627470		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.87; 286.96]	J/mol×K	[436.98; 645.53]
Cp,gas	215.87	J/mol×K	436.98	Joback Calculated Property
Cp,gas	229.41	J/mol×K	471.74	Joback Calculated Property
Cp,gas	242.24	J/mol×K	506.50	Joback Calculated Property
Cp,gas	254.38	J/mol×K	541.26	Joback Calculated Property
Cp,gas	265.87	J/mol×K	576.01	Joback Calculated Property
Cp,gas	276.72	J/mol×K	610.77	Joback Calculated Property
Cp,gas	286.96	J/mol×K	645.53	Joback Calculated Property
η	[0.0002193; 0.0022882]	Pa×s	[230.13; 436.98]
η	0.0022882	Pa×s	230.13	Joback Calculated Property
η	0.0012000	Pa×s	264.61	Joback Calculated Property
η	0.0007303	Pa×s	299.08	Joback Calculated Property
η	0.0004925	Pa×s	333.56	Joback Calculated Property
η	0.0003576	Pa×s	368.03	Joback Calculated Property
η	0.0002742	Pa×s	402.50	Joback Calculated Property
η	0.0002193	Pa×s	436.98	Joback Calculated Property
ΔvapH	43.40	kJ/mol	393.00	NIST
n0	1.49406		298.15	KDB
ρl	[864.44; 865.00]	kg/m3	[293.00; 293.15]
ρl	865.00	kg/m3	293.00	KDB
ρl	864.44	kg/m3	293.15	Isobari...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[315.44; 464.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42689e+01
Coefficient B			-3.70876e+03
Coefficient C			-5.01780e+01
Temperature range, min.			315.44
Temperature range, max.			464.22
Pvap	1.33	kPa	315.44	Calculated Property
Pvap	3.03	kPa	331.97	Calculated Property
Pvap	6.28	kPa	348.50	Calculated Property
Pvap	12.06	kPa	365.03	Calculated Property
Pvap	21.70	kPa	381.56	Calculated Property
Pvap	36.93	kPa	398.10	Calculated Property
Pvap	59.90	kPa	414.63	Calculated Property
Pvap	93.15	kPa	431.16	Calculated Property
Pvap	139.63	kPa	447.69	Calculated Property
Pvap	202.65	kPa	464.22	Calculated Property
Pvap	[3.63e-07; 2867.55]	kPa	[177.61; 637.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.56008e+01
Coefficient B			-8.01685e+03
Coefficient C			-8.76798e+00
Coefficient D			3.83709e-06
Temperature range, min.			177.61
Temperature range, max.			637.15
Pvap	3.63e-07	kPa	177.61	Calculated Property
Pvap	1.02e-03	kPa	228.67	Calculated Property
Pvap	0.12	kPa	279.73	Calculated Property
Pvap	2.50	kPa	330.79	Calculated Property
Pvap	20.90	kPa	381.85	Calculated Property
Pvap	97.04	kPa	432.91	Calculated Property
Pvap	308.24	kPa	483.97	Calculated Property
Pvap	758.96	kPa	535.03	Calculated Property
Pvap	1568.36	kPa	586.09	Calculated Property
Pvap	2867.55	kPa	637.15	Calculated Property

Similar Compounds

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

Mixtures

• Benzene, 1-ethyl-3-methyl- + Benzene, 1,2,4-trimethyl-
• Carbon dioxide + Benzene, 1-ethyl-3-methyl-

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Isobaric VLE data for 1-methyl-3-ethylbenzene or 1-methyl-4-ethylbenzene + 1,2,4-trimethylbenzene at 20 kPa
• Binary Diffusion Coefficients of 2-Ethyltoluene, 3-Ethyltoluene, and 4-Ethyltoluene in Supercritical Carbon Dioxide
• 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.