Chemical Properties of Benzaldehyde dimethyl acetal (CAS 1125-88-8)

InChI

InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3

InChI Key

HEVMDQBCAHEHDY-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

COC(OC)c1ccccc1

Molecular Weight¹

152.19

CAS

1125-88-8

Other Names

• Benzene, (dimethoxymethyl)-
• «alpha»,«alpha»-Dimethoxytoluene
• Dimethoxymethylbenzene
• Dimethoxyphenylmethane
• Toluene, «alpha»,«alpha»-dimethoxy-
• alpha,alpha-dimethoxytoluene

• 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).
• 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_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
ΔcH°liquid	-4948.16 ± 0.47	kJ/mol	NIST
ΔfG°	-75.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-248.94 ± 0.88	kJ/mol	NIST
ΔfH°liquid	-308.40 ± 0.52	kJ/mol	NIST
ΔfusH°	11.96	kJ/mol	Joback Calculated Property
ΔvapH°	[59.46; 60.90]	kJ/mol
ΔvapH°	60.90 ± 0.50	kJ/mol	NIST
ΔvapH°	59.46 ± 0.71	kJ/mol	NIST
ΔvapH°	59.50	kJ/mol	NIST
log10WS	-1.82		Crippen Calculated Property
logPoct/wat	1.978		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Pc	3166.83	kPa	Joback Calculated Property
Inp	1200.00		NIST
I	1665.00		NIST
Tboil	[469.00; 480.00]	K
Tboil	469.00	K	NIST
Tboil	480.00 ± 5.00	K	NIST
Tc	685.46	K	Joback Calculated Property
Tfus	247.07	K	Joback Calculated Property
Vc	0.462	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[262.36; 335.07]	J/mol×K	[476.40; 685.46]
Cp,gas	262.36	J/mol×K	476.40	Joback Calculated Property
Cp,gas	276.05	J/mol×K	511.24	Joback Calculated Property
Cp,gas	289.11	J/mol×K	546.09	Joback Calculated Property
Cp,gas	301.54	J/mol×K	580.93	Joback Calculated Property
Cp,gas	313.34	J/mol×K	615.77	Joback Calculated Property
Cp,gas	324.51	J/mol×K	650.62	Joback Calculated Property
Cp,gas	335.07	J/mol×K	685.46	Joback Calculated Property
η	[0.0001657; 0.0029241]	Pa×s	[247.07; 476.40]
η	0.0029241	Pa×s	247.07	Joback Calculated Property
η	0.0013153	Pa×s	285.29	Joback Calculated Property
η	0.0007146	Pa×s	323.51	Joback Calculated Property
η	0.0004417	Pa×s	361.74	Joback Calculated Property
η	0.0002993	Pa×s	399.96	Joback Calculated Property
η	0.0002170	Pa×s	438.18	Joback Calculated Property
η	0.0001657	Pa×s	476.40	Joback Calculated Property
ΔvapH	56.50 ± 0.70	kJ/mol	300.50	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzaldehyde dimethyl acetal.

Sources

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

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