Chemical Properties of Benzene, 1,2-diethyl- (CAS 135-01-3)

InChI

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

InChI Key

KVNYFPKFSJIPBJ-UHFFFAOYSA-N

Formula

C10H14

SMILES

CCc1ccccc1CC

Molecular Weight¹

134.22

CAS

135-01-3

Other Names

• 1,2-DIETHYLBENZENE
• 1,2-DiethyIbenzene
• Benzene, o-diethyl-
• o-Diethylbenzene
• ortho-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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• 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	0.3540		KDB
ΔcH°liquid	[-5867.43; -5865.10]	kJ/mol
ΔcH°liquid	-5867.43 ± 0.88	kJ/mol	NIST
ΔcH°liquid	-5865.10 ± 1.80	kJ/mol	NIST
ΔfG°	136.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-24.67	kJ/mol	Joback Calculated Property
ΔfH°liquid	[-70.90; -68.50]	kJ/mol
ΔfH°liquid	-68.50 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-70.90 ± 1.80	kJ/mol	NIST
ΔfusH°	15.31	kJ/mol	Joback Calculated Property
ΔvapH°	52.80	kJ/mol	NIST
IE	[8.51; 8.51]	eV
IE	8.51	eV	NIST
IE	8.51	eV	NIST
log10WS	[-3.28; -3.28]
log10WS	-3.28		Aq. Sol...
log10WS	-3.28		Estimat...
logPoct/wat	2.811		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	2		KDB
Pc	2990.00	kPa	KDB
Inp	[1023.00; 1088.00]
Inp	1041.00		NIST
Inp	1041.00		NIST
Inp	1051.80		NIST
Inp	1057.90		NIST
Inp	1051.00		NIST
Inp	1051.00		NIST
Inp	1039.00		NIST
Inp	1043.50		NIST
Inp	1064.00		NIST
Inp	1047.00		NIST
Inp	1053.00		NIST
Inp	1059.00		NIST
Inp	1066.00		NIST
Inp	1034.80		NIST
Inp	1038.10		NIST
Inp	1052.70		NIST
Inp	1058.90		NIST
Inp	1065.90		NIST
Inp	1042.70		NIST
Inp	1033.00		NIST
Inp	1034.80		NIST
Inp	1038.10		NIST
Inp	1046.00		NIST
Inp	1042.70		NIST
Inp	1039.10		NIST
Inp	1043.60		NIST
Inp	1036.00		NIST
Inp	1067.00		NIST
Inp	1051.70		NIST
Inp	1048.00		NIST
Inp	1048.00		NIST
Inp	1049.00		NIST
Inp	1056.00		NIST
Inp	1056.70		NIST
Inp	1055.00		NIST
Inp	1043.30		NIST
Inp	1047.00		NIST
Inp	1044.00		NIST
Inp	1044.00		NIST
Inp	1059.00		NIST
Inp	1050.00		NIST
Inp	1053.00		NIST
Inp	1053.00		NIST
Inp	1059.00		NIST
Inp	1059.00		NIST
Inp	1029.00		NIST
Inp	1048.00		NIST
Inp	1057.00		NIST
Inp	1053.00		NIST
Inp	1052.00		NIST
Inp	1052.00		NIST
Inp	1068.80		NIST
Inp	1042.00		NIST
Inp	1042.00		NIST
Inp	1035.00		NIST
Inp	1057.00		NIST
Inp	Outlier 1088.00		NIST
Inp	1044.00		NIST
Inp	Outlier 1023.00		NIST
Inp	1044.00		NIST
Inp	1052.00		NIST
Inp	1051.00		NIST
Inp	1051.00		NIST
Inp	1051.50		NIST
Inp	1058.70		NIST
Inp	1055.80		NIST
Inp	1057.20		NIST
Inp	1039.30		NIST
Inp	1043.00		NIST
Inp	1053.00		NIST
Inp	1042.00		NIST
I	[1285.00; 1379.00]
I	1285.00		NIST
I	1289.00		NIST
I	1324.00		NIST
I	1298.80		NIST
I	1298.80		NIST
I	1305.00		NIST
I	1335.00		NIST
I	1337.00		NIST
I	1350.00		NIST
I	1363.00		NIST
I	Outlier 1379.00		NIST
I	1324.00		NIST
I	1299.00		NIST
I	1372.00		NIST
I	1324.00		NIST
I	1299.00		NIST
I	1324.00		NIST
I	1308.50		NIST
Tboil	[449.70; 457.40]	K
Tboil	457.00	K	KDB
Tboil	456.70	K	NIST
Tboil	456.00 ± 2.00	K	NIST
Tboil	456.45 ± 0.20	K	NIST
Tboil	456.45 ± 0.20	K	NIST
Tboil	456.57 ± 0.03	K	NIST
Tboil	456.45 ± 0.30	K	NIST
Tboil	456.90 ± 2.00	K	NIST
Tboil	Outlier 449.70 ± 1.00	K	NIST
Tboil	454.35 ± 0.30	K	NIST
Tboil	456.70 ± 0.50	K	NIST
Tboil	456.45 ± 0.30	K	NIST
Tboil	457.40 ± 1.00	K	NIST
Tboil	456.00 ± 2.00	K	NIST
Tboil	Outlier 450.00 ± 7.00	K	NIST
Tboil	457.00 ± 2.00	K	NIST
Tc	669.60	K	KDB
Tfus	[241.71; 242.08]	K
Tfus	242.00	K	KDB
Tfus	242.08	K	Aq. Sol...
Tfus	241.71 ± 0.20	K	NIST
Vc	0.487	m3/kmol	KDB
Zc	0.2618150		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.29; 334.39]	J/mol×K	[459.86; 665.78]
T(K) Ideal gas heat capacity (J/mol×K) 260 280 300 320 340 500 550 600 650
Cp,gas	257.29	J/mol×K	459.86	Joback Calculated Property
Cp,gas	271.96	J/mol×K	494.18	Joback Calculated Property
Cp,gas	285.87	J/mol×K	528.50	Joback Calculated Property
Cp,gas	299.03	J/mol×K	562.82	Joback Calculated Property
Cp,gas	311.49	J/mol×K	597.14	Joback Calculated Property
Cp,gas	323.27	J/mol×K	631.46	Joback Calculated Property
Cp,gas	334.39	J/mol×K	665.78	Joback Calculated Property
η	[0.0002163; 0.0024545]	Pa×s	[241.40; 459.86]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 300 400
η	0.0024545	Pa×s	241.40	Joback Calculated Property
η	0.0012559	Pa×s	277.81	Joback Calculated Property
η	0.0007506	Pa×s	314.22	Joback Calculated Property
η	0.0004992	Pa×s	350.63	Joback Calculated Property
η	0.0003585	Pa×s	387.04	Joback Calculated Property
η	0.0002725	Pa×s	423.45	Joback Calculated Property
η	0.0002163	Pa×s	459.86	Joback Calculated Property
ΔvapH	[39.41; 46.00]	kJ/mol	[416.50; 457.00]
ΔvapH	46.00	kJ/mol	416.50	NIST
ΔvapH	39.41	kJ/mol	457.00	KDB
n0	1.50106		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[334.02; 487.32]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42021e+01
Coefficient B			-3.77470e+03
Coefficient C			-6.27460e+01
Temperature range, min.			334.02
Temperature range, max.			487.32
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450
Pvap	1.33	kPa	334.02	Calculated Property
Pvap	3.03	kPa	351.05	Calculated Property
Pvap	6.30	kPa	368.09	Calculated Property
Pvap	12.10	kPa	385.12	Calculated Property
Pvap	21.77	kPa	402.15	Calculated Property
Pvap	37.04	kPa	419.19	Calculated Property
Pvap	60.05	kPa	436.22	Calculated Property
Pvap	93.31	kPa	453.25	Calculated Property
Pvap	139.77	kPa	470.29	Calculated Property
Pvap	202.66	kPa	487.32	Calculated Property
Pvap	[1.03e-03; 2825.37]	kPa	[241.93; 668.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.81349e+01
Coefficient B			-8.61176e+03
Coefficient C			-9.03986e+00
Coefficient D			3.36428e-06
Temperature range, min.			241.93
Temperature range, max.			668.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 300 400 500 600
Pvap	1.03e-03	kPa	241.93	Calculated Property
Pvap	0.08	kPa	289.27	Calculated Property
Pvap	1.39	kPa	336.61	Calculated Property
Pvap	11.13	kPa	383.95	Calculated Property
Pvap	51.96	kPa	431.29	Calculated Property
Pvap	168.83	kPa	478.64	Calculated Property
Pvap	426.53	kPa	525.98	Calculated Property
Pvap	901.13	kPa	573.32	Calculated Property
Pvap	1672.89	kPa	620.66	Calculated Property
Pvap	2825.37	kPa	668.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2-diethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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