Chemical Properties of BENZENE, (2,2-DIETHOXYETHYL)-

InChI

InChI=1S/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

InChI Key

FYERTDTXGGOMGT-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

CCOC(Cc1ccccc1)OCC

Molecular Weight¹

194.27

Other Names

• Acetaldehyde, phenyl-, diethyl acetal
• Benzeneacetaldehyde, diethyl acetal
• Phenylacetaldehyde diethyl acetal
• 1,1-diethoxy-2-phenylethane
• (2,2-diethoxyethyl)benzene

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• I_np : Non-polar retention indices.
• I_p : 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4824		Relay (1.0) Calculated Property
ΔfG°	-49.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-330.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.73	kJ/mol	Joback Calculated Property
ΔvapH°	67.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-2.04		Relay (1.0) Calculated Property
logPoct/wat	2.628		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Pc	2345.09	kPa	Joback Calculated Property
Inp	[1328.00; 1328.00]
Inp	1328.00		NIST
Inp	1328.00		NIST
Inp	1328.00		NIST
Ip	[1690.00; 1717.00]
Ip	1711.00		NIST
Ip	1690.00		NIST
Ip	1690.00		NIST
Ip	1717.00		NIST
Ip	1711.00		NIST
Tboil	510.98	K	Relay (1.0) Calculated Property
Tc	700.85	K	Relay (1.0) Calculated Property
Tfus	210.92	K	Relay (1.0) Calculated Property
Vc	0.619	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.28; 557.43]	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			7.39300e+00
Coefficient B			9.44440e-01
Coefficient C			-4.41400e-04
Coefficient D			4.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.28	J/mol×K	273.00	Calculated Property
Cp,gas	288.35	J/mol×K	353.78	Calculated Property
Cp,gas	338.31	J/mol×K	434.56	Calculated Property
Cp,gas	383.30	J/mol×K	515.33	Calculated Property
Cp,gas	423.49	J/mol×K	596.11	Calculated Property
Cp,gas	459.01	J/mol×K	676.89	Calculated Property
Cp,gas	490.02	J/mol×K	757.67	Calculated Property
Cp,gas	516.66	J/mol×K	838.44	Calculated Property
Cp,gas	539.08	J/mol×K	919.22	Calculated Property
Cp,gas	557.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027402; 0.0001528]	Pa×s	[280.88; 521.86]	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			-1.21507e+01
Coefficient B			1.75578e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			280.88
Temperature range, max.			521.86
η	0.0027402	Pa×s	280.88	Calculated Property
η	0.0015904	Pa×s	307.66	Calculated Property
η	0.0010071	Pa×s	334.43	Calculated Property
η	0.0006824	Pa×s	361.21	Calculated Property
η	0.0004880	Pa×s	387.98	Calculated Property
η	0.0003643	Pa×s	414.76	Calculated Property
η	0.0002818	Pa×s	441.53	Calculated Property
η	0.0002245	Pa×s	468.31	Calculated Property
η	0.0001833	Pa×s	495.08	Calculated Property
η	0.0001528	Pa×s	521.86	Calculated Property

Similar Compounds

Find more compounds similar to BENZENE, (2,2-DIETHOXYETHYL)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.