Chemical Properties of Benzene, (2,2-dimethoxyethyl)- (CAS 101-48-4)

InChI

InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

InChI Key

WNJSKZBEWNVKGU-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

COC(Cc1ccccc1)OC

Molecular Weight¹

166.22

CAS

101-48-4

Other Names

• Acetaldehyde, phenyl-, dimethyl acetal
• «alpha»-Tolylaldehyde dimethyl acetal
• Hyscylene P
• Phenacetaldehyde dimethyl acetal
• Phenylacetaldehyde dimethyl acetal
• Phenylacetic aldehyde dimethyl acetal
• Ethane, 1,1-dimethoxy-2-phenyl-
• Viridine
• (2,2-Dimethoxyethyl)benzene
• 1,1-Dimethoxy-2-phenylethane
• 2,2-Dimethoxy-1-phenylethane
• 2-Phenylacetaldehyde dimethyl acetal
• NSC 5174
• Viridine [benzene (2,2-di-methoxy ethyl)]

• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4102		Relay (1.0) Calculated Property
ΔfG°	-66.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-260.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.55	kJ/mol	Joback Calculated Property
ΔvapH°	60.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-1.39		Relay (1.0) Calculated Property
logPoct/wat	1.848		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Pc	2850.52	kPa	Joback Calculated Property
I	[2244.10; 2249.20]
I	2244.10		NIST
I	2249.20		NIST
I	2244.10		NIST
Tboil	488.46	K	Relay (1.0) Calculated Property
Tc	686.32	K	Relay (1.0) Calculated Property
Tfus	222.01	K	Relay (1.0) Calculated Property
Vc	0.508	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.86; 454.25]	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			9.21100e+00
Coefficient B			7.54440e-01
Coefficient C			-3.32600e-04
Coefficient D			2.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.86	J/mol×K	273.00	Calculated Property
Cp,gas	235.51	J/mol×K	353.78	Calculated Property
Cp,gas	276.15	J/mol×K	434.56	Calculated Property
Cp,gas	312.85	J/mol×K	515.33	Calculated Property
Cp,gas	345.67	J/mol×K	596.11	Calculated Property
Cp,gas	374.69	J/mol×K	676.89	Calculated Property
Cp,gas	399.98	J/mol×K	757.67	Calculated Property
Cp,gas	421.63	J/mol×K	838.44	Calculated Property
Cp,gas	439.69	J/mol×K	919.22	Calculated Property
Cp,gas	454.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029052; 0.0001608]	Pa×s	[258.34; 493.95]	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			-1.19087e+01
Coefficient B			1.56746e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			258.34
Temperature range, max.			493.95
η	0.0029052	Pa×s	258.34	Calculated Property
η	0.0016624	Pa×s	284.52	Calculated Property
η	0.0010450	Pa×s	310.70	Calculated Property
η	0.0007061	Pa×s	336.88	Calculated Property
η	0.0005048	Pa×s	363.05	Calculated Property
η	0.0003776	Pa×s	389.23	Calculated Property
η	0.0002930	Pa×s	415.41	Calculated Property
η	0.0002343	Pa×s	441.59	Calculated Property
η	0.0001920	Pa×s	467.77	Calculated Property
η	0.0001608	Pa×s	493.95	Calculated Property

Similar Compounds

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

Sources

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

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