Chemical Properties of Benzaldehyde diethylacetal (CAS 774-48-1)

InChI

InChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3

InChI Key

MAQMEXSLUSZDQM-UHFFFAOYSA-N

Formula

C11H16O2

SMILES

CCOC(OCC)c1ccccc1

Molecular Weight¹

180.24

CAS

774-48-1

Other Names

• Benzene, (diethoxymethyl)-
• Toluene, «alpha»,«alpha»-diethoxy-
• (Diethoxymethyl)benzene
• «alpha»,«alpha»-diethoxytoluene

• 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.
• 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	0.4545		Relay (1.0) Calculated Property
ΔfG°	-58.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-326.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.14	kJ/mol	Joback Calculated Property
ΔvapH°	62.80 ± 0.60	kJ/mol	NIST
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-1.78		Relay (1.0) Calculated Property
logPoct/wat	2.758		Crippen Calculated Property
McVol	153.830	ml/mol	McGowan Calculated Property
Pc	2579.34	kPa	Joback Calculated Property
Inp	[1246.00; 1296.00]
Inp	1246.00		NIST
Inp	1296.00		NIST
Inp	1291.00		NIST
Inp	1296.00		NIST
Inp	1246.00		NIST
Tboil	[492.00; 494.00]	K
Tboil	492.00 ± 2.00	K	NIST
Tboil	494.00 ± 5.00	K	NIST
Tc	683.05	K	Relay (1.0) Calculated Property
Tfus	236.11	K	Relay (1.0) Calculated Property
Vc	0.568	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.07; 505.84]	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			8.30200e+00
Coefficient B			8.49440e-01
Coefficient C			-3.87000e-04
Coefficient D			3.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.07	J/mol×K	273.00	Calculated Property
Cp,gas	261.93	J/mol×K	353.78	Calculated Property
Cp,gas	307.23	J/mol×K	434.56	Calculated Property
Cp,gas	348.08	J/mol×K	515.33	Calculated Property
Cp,gas	384.58	J/mol×K	596.11	Calculated Property
Cp,gas	416.85	J/mol×K	676.89	Calculated Property
Cp,gas	445.00	J/mol×K	757.67	Calculated Property
Cp,gas	469.14	J/mol×K	838.44	Calculated Property
Cp,gas	489.39	J/mol×K	919.22	Calculated Property
Cp,gas	505.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028409; 0.0001577]	Pa×s	[269.61; 507.88]	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			-1.20267e+01
Coefficient B			1.66162e+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.			269.61
Temperature range, max.			507.88
η	0.0028409	Pa×s	269.61	Calculated Property
η	0.0016373	Pa×s	296.08	Calculated Property
η	0.0010330	Pa×s	322.56	Calculated Property
η	0.0006989	Pa×s	349.03	Calculated Property
η	0.0004996	Pa×s	375.51	Calculated Property
η	0.0003733	Pa×s	401.98	Calculated Property
η	0.0002892	Pa×s	428.46	Calculated Property
η	0.0002307	Pa×s	454.93	Calculated Property
η	0.0001888	Pa×s	481.40	Calculated Property
η	0.0001577	Pa×s	507.88	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde diethylacetal.

Sources

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

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