Chemical Properties of Benzene, (2,2-diethoxyethyl)- (CAS 6314-97-2)

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

CAS

6314-97-2

Other Names

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

• 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).
• 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 : 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
ΔfG°	-49.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.20	kJ/mol	Joback Calculated Property
ΔfusH°	19.73	kJ/mol	Joback Calculated Property
ΔvapH°	49.01	kJ/mol	Joback Calculated Property
log10WS	-2.73		Crippen 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
I	[1690.00; 1717.00]
I	1711.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1717.00		NIST
Tboil	545.04	K	Joback Calculated Property
Tc	745.23	K	Joback Calculated Property
Tfus	280.88	K	Joback Calculated Property
Vc	0.629	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.63; 485.53]	J/mol×K	[545.04; 745.23]
Cp,gas	398.63	J/mol×K	545.04	Joback Calculated Property
Cp,gas	415.09	J/mol×K	578.41	Joback Calculated Property
Cp,gas	430.74	J/mol×K	611.77	Joback Calculated Property
Cp,gas	445.59	J/mol×K	645.14	Joback Calculated Property
Cp,gas	459.67	J/mol×K	678.50	Joback Calculated Property
Cp,gas	472.98	J/mol×K	711.87	Joback Calculated Property
Cp,gas	485.53	J/mol×K	745.23	Joback Calculated Property
η	[0.0001324; 0.0027402]	Pa×s	[280.88; 545.04]
η	0.0027402	Pa×s	280.88	Joback Calculated Property
η	0.0011747	Pa×s	324.91	Joback Calculated Property
η	0.0006164	Pa×s	368.93	Joback Calculated Property
η	0.0003711	Pa×s	412.96	Joback Calculated Property
η	0.0002464	Pa×s	456.99	Joback Calculated Property
η	0.0001758	Pa×s	501.01	Joback Calculated Property
η	0.0001324	Pa×s	545.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (2,2-diethoxyethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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