Chemical Properties of Benzene, 1,3-diethyl- (CAS 141-93-5)

InChI

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

InChI Key

AFZZYIJIWUTJFO-UHFFFAOYSA-N

Formula

C10H14

SMILES

CCc1cccc(CC)c1

Molecular Weight¹

134.22

CAS

141-93-5

Other Names

• 1,3-Diethylbenzene
• Benzene, m-diethyl-
• m-Diethylbenzene
• meta-Diethylbenzene

• 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).
• n₀ : Refractive Index.
• 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	0.3590		KDB
ΔcH°liquid	[-5863.00; -5862.41]	kJ/mol
ΔcH°liquid	-5862.41 ± 0.92	kJ/mol	NIST
ΔcH°liquid	-5863.00 ± 1.80	kJ/mol	NIST
ΔfG°	136.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-17.69	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-73.50; -73.00]	kJ/mol
ΔfH°liquid	-73.50 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-73.00 ± 1.80	kJ/mol	NIST
ΔfusH°	15.31	kJ/mol	Joback Calculated Property
ΔvapH°	52.50	kJ/mol	NIST
IE	[8.49; 8.49]	eV
IE	8.49	eV	NIST
IE	8.49 ± 0.01	eV	NIST
log10WS	-3.67		Relay (1.0) Calculated Property
logPoct/wat	2.811		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	2930.00	kPa	KDB
Inp	[186.60; 1070.00]
Inp	1056.00		NIST
Inp	1034.43		NIST
Inp	1030.00		NIST
Inp	1038.50		NIST
Inp	1040.00		NIST
Inp	1040.00		NIST
Inp	1038.00		NIST
Inp	1040.00		NIST
Inp	1041.00		NIST
Inp	1036.00		NIST
Inp	1034.80		NIST
Inp	1050.00		NIST
Inp	1036.00		NIST
Inp	1040.00		NIST
Inp	1045.00		NIST
Inp	1051.00		NIST
Inp	1025.70		NIST
Inp	1028.10		NIST
Inp	1040.40		NIST
Inp	1045.30		NIST
Inp	1050.70		NIST
Inp	1031.50		NIST
Inp	1023.20		NIST
Inp	1025.70		NIST
Inp	1028.10		NIST
Inp	1027.00		NIST
Inp	1023.18		NIST
Inp	1032.95		NIST
Inp	1047.00		NIST
Inp	1053.00		NIST
Inp	1055.00		NIST
Inp	1056.00		NIST
Inp	1032.00		NIST
Inp	1032.30		NIST
Inp	1031.50		NIST
Inp	1028.90		NIST
Inp	1025.00		NIST
Inp	1047.00		NIST
Inp	1033.00		NIST
Inp	1055.00		NIST
Inp	1039.90		NIST
Inp	1039.00		NIST
Inp	1032.00		NIST
Inp	1037.00		NIST
Inp	1056.00		NIST
Inp	1040.00		NIST
Inp	1055.20		NIST
Inp	1045.00		NIST
Inp	1034.10		NIST
Inp	1034.43		NIST
Inp	1034.64		NIST
Inp	1035.00		NIST
Inp	1033.00		NIST
Inp	1049.74		NIST
Inp	1040.00		NIST
Inp	1051.00		NIST
Inp	1038.00		NIST
Inp	1040.00		NIST
Inp	1045.00		NIST
Inp	1020.00		NIST
Inp	1031.00		NIST
Inp	1036.00		NIST
Inp	1046.00		NIST
Inp	1039.00		NIST
Inp	1047.00		NIST
Inp	1040.00		NIST
Inp	1047.00		NIST
Inp	1050.00		NIST
Inp	1063.00		NIST
Inp	1037.00		NIST
Inp	1056.30		NIST
Inp	1042.00		NIST
Inp	1032.00		NIST
Inp	1036.00		NIST
Inp	1035.00		NIST
Inp	1070.00		NIST
Inp	1035.00		NIST
Inp	1029.00		NIST
Inp	1040.00		NIST
Inp	1035.00		NIST
Inp	1040.00		NIST
Inp	1038.50		NIST
Inp	1039.00		NIST
Inp	1028.80		NIST
Inp	1033.00		NIST
Inp	1034.00		NIST
Inp	Outlier 186.60		NIST
Inp	1033.00		NIST
Inp	1039.90		NIST
Inp	1049.74		NIST
I	[1275.80; 1348.00]
I	1297.30		NIST
I	1275.80		NIST
I	1289.40		NIST
I	1275.80		NIST
I	1301.00		NIST
I	1310.00		NIST
I	1296.00		NIST
I	1314.00		NIST
I	1296.00		NIST
I	1302.00		NIST
I	1308.00		NIST
I	1309.00		NIST
I	1320.00		NIST
I	1332.00		NIST
I	Outlier 1348.00		NIST
I	1298.00		NIST
I	1276.00		NIST
I	1339.00		NIST
I	1297.00		NIST
I	1276.00		NIST
I	1297.00		NIST
I	1282.00		NIST
I	1301.00		NIST
I	1302.00		NIST
Tboil	[452.00; 456.00]	K
Tboil	454.30	K	KDB
Tboil	454.30	K	NIST
Tboil	455.00 ± 2.00	K	NIST
Tboil	Outlier 456.00 ± 2.00	K	NIST
Tboil	454.60 ± 0.30	K	NIST
Tboil	454.22 ± 0.30	K	NIST
Tboil	455.00 ± 2.00	K	NIST
Tboil	454.00 ± 2.00	K	NIST
Tboil	454.40 ± 0.20	K	NIST
Tboil	454.05 ± 1.00	K	NIST
Tboil	454.21 ± 0.30	K	NIST
Tboil	452.80 ± 2.00	K	NIST
Tboil	454.21 ± 0.20	K	NIST
Tboil	454.25 ± 0.20	K	NIST
Tboil	454.25 ± 0.20	K	NIST
Tboil	452.80 ± 3.00	K	NIST
Tboil	454.40 ± 0.40	K	NIST
Tboil	454.77 ± 0.20	K	NIST
Tboil	454.29 ± 0.20	K	NIST
Tboil	454.40 ± 0.20	K	NIST
Tboil	454.40 ± 0.20	K	NIST
Tboil	454.25 ± 0.50	K	NIST
Tboil	Outlier 452.00 ± 3.00	K	NIST
Tboil	455.00 ± 1.00	K	NIST
Tboil	453.70 ± 0.50	K	NIST
Tc	663.60	K	KDB
Tfus	[189.00; 189.33]	K
Tfus	189.00	K	KDB
Tfus	189.33 ± 0.20	K	NIST
Tfus	189.16 ± 0.20	K	NIST
Tfus	189.06 ± 0.15	K	NIST
Vc	0.487	m3/kmol	KDB
Zc	0.2588800		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[39.37; 45.80]	kJ/mol	[412.50; 454.30]
ΔvapH	45.80	kJ/mol	412.50	NIST
ΔvapH	39.37	kJ/mol	454.30	KDB
n0	1.49310		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[162.91; 413.67]	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			-2.58080e+01
Coefficient B			8.15440e-01
Coefficient C			-4.84360e-04
Coefficient D			1.08400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.91	J/mol×K	273.00	Calculated Property
Cp,gas	206.85	J/mol×K	353.78	Calculated Property
Cp,gas	245.98	J/mol×K	434.56	Calculated Property
Cp,gas	280.62	J/mol×K	515.33	Calculated Property
Cp,gas	311.13	J/mol×K	596.11	Calculated Property
Cp,gas	337.85	J/mol×K	676.89	Calculated Property
Cp,gas	361.12	J/mol×K	757.67	Calculated Property
Cp,gas	381.29	J/mol×K	838.44	Calculated Property
Cp,gas	398.69	J/mol×K	919.22	Calculated Property
Cp,gas	413.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0100811; 0.0002106]	Pa×s	[189.14; 464.52]	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			-1.11225e+01
Coefficient B			1.23420e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			189.14
Temperature range, max.			464.52
η	0.0100811	Pa×s	189.14	Calculated Property
η	0.0040633	Pa×s	219.74	Calculated Property
η	0.0020452	Pa×s	250.33	Calculated Property
η	0.0011954	Pa×s	280.93	Calculated Property
η	0.0007765	Pa×s	311.53	Calculated Property
η	0.0005448	Pa×s	342.13	Calculated Property
η	0.0004052	Pa×s	372.73	Calculated Property
η	0.0003152	Pa×s	403.32	Calculated Property
η	0.0002540	Pa×s	433.92	Calculated Property
η	0.0002106	Pa×s	464.52	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[331.56; 484.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43625e+01
Coefficient B			-3.88665e+03
Coefficient C			-5.54190e+01
Temperature range, min.			331.56
Temperature range, max.			484.84
Pvap	1.33	kPa	331.56	Calculated Property
Pvap	3.02	kPa	348.59	Calculated Property
Pvap	6.25	kPa	365.62	Calculated Property
Pvap	12.00	kPa	382.65	Calculated Property
Pvap	21.60	kPa	399.68	Calculated Property
Pvap	36.78	kPa	416.72	Calculated Property
Pvap	59.69	kPa	433.75	Calculated Property
Pvap	92.92	kPa	450.78	Calculated Property
Pvap	139.46	kPa	467.81	Calculated Property
Pvap	202.67	kPa	484.84	Calculated Property
Pvap	[4.22e-07; 2884.55]	kPa	[189.26; 663.00]	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			8.37996e+01
Coefficient B			-8.84380e+03
Coefficient C			-9.89795e+00
Coefficient D			4.12081e-06
Coefficient E			0.00000e+00
Temperature range, min.			189.26
Temperature range, max.			663.00
Pvap	4.22e-07	kPa	189.26	Calculated Property
Pvap	1.07e-03	kPa	241.90	Calculated Property
Pvap	0.12	kPa	294.54	Calculated Property
Pvap	2.51	kPa	347.17	Calculated Property
Pvap	20.90	kPa	399.81	Calculated Property
Pvap	96.92	kPa	452.45	Calculated Property
Pvap	307.75	kPa	505.09	Calculated Property
Pvap	758.34	kPa	557.72	Calculated Property
Pvap	1570.80	kPa	610.36	Calculated Property
Pvap	2884.55	kPa	663.00	Calculated Property
Pvap	[6.42; 104.02]	kPa	[368.24; 455.31]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41169e+01
Coefficient B			-3.62948e+03
Coefficient C			-7.21460e+01
Reference			Forziati, Norris, et al., 1949, 2
Temperature range, min.			368.24
Temperature range, max.			455.31
Pvap	6.42	kPa	368.24	Calculated Property
Pvap	9.46	kPa	377.91	Calculated Property
Pvap	13.61	kPa	387.59	Calculated Property
Pvap	19.17	kPa	397.26	Calculated Property
Pvap	26.47	kPa	406.94	Calculated Property
Pvap	35.89	kPa	416.61	Calculated Property
Pvap	47.86	kPa	426.29	Calculated Property
Pvap	62.85	kPa	435.96	Calculated Property
Pvap	81.39	kPa	445.64	Calculated Property
Pvap	104.02	kPa	455.31	Calculated Property
Pvap	[6.42; 104.02]	kPa	[368.24; 455.31]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41169e+01
Coefficient B			-3.62948e+03
Coefficient C			-7.21460e+01
Reference			Forziati, Norris, et al., 1949
Temperature range, min.			368.24
Temperature range, max.			455.31
Pvap	6.42	kPa	368.24	Calculated Property
Pvap	9.46	kPa	377.91	Calculated Property
Pvap	13.61	kPa	387.59	Calculated Property
Pvap	19.17	kPa	397.26	Calculated Property
Pvap	26.47	kPa	406.94	Calculated Property
Pvap	35.89	kPa	416.61	Calculated Property
Pvap	47.86	kPa	426.29	Calculated Property
Pvap	62.85	kPa	435.96	Calculated Property
Pvap	81.39	kPa	445.64	Calculated Property
Pvap	104.02	kPa	455.31	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-diethyl-.

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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