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

• ω : Acentric Factor.
• 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).
• 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 : 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	0.3932		Relay (1.0) Calculated Property
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
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-1.14		Relay (1.0) 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	674.63	K	Relay (1.0) Calculated Property
Tfus	256.46	K	Relay (1.0) Calculated Property
Vc	0.458	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.64; 402.66]	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			1.01200e+01
Coefficient B			6.59440e-01
Coefficient C			-2.78200e-04
Coefficient D			1.13000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.64	J/mol×K	273.00	Calculated Property
Cp,gas	209.10	J/mol×K	353.78	Calculated Property
Cp,gas	245.08	J/mol×K	434.56	Calculated Property
Cp,gas	277.62	J/mol×K	515.33	Calculated Property
Cp,gas	306.76	J/mol×K	596.11	Calculated Property
Cp,gas	332.53	J/mol×K	676.89	Calculated Property
Cp,gas	354.97	J/mol×K	757.67	Calculated Property
Cp,gas	374.11	J/mol×K	838.44	Calculated Property
Cp,gas	390.00	J/mol×K	919.22	Calculated Property
Cp,gas	402.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029241; 0.0001619]	Pa×s	[247.07; 480.03]	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			-1.17979e+01
Coefficient B			1.47330e+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.			247.07
Temperature range, max.			480.03
η	0.0029241	Pa×s	247.07	Calculated Property
η	0.0016612	Pa×s	272.95	Calculated Property
η	0.0010408	Pa×s	298.84	Calculated Property
η	0.0007026	Pa×s	324.72	Calculated Property
η	0.0005026	Pa×s	350.61	Calculated Property
η	0.0003765	Pa×s	376.49	Calculated Property
η	0.0002927	Pa×s	402.37	Calculated Property
η	0.0002346	Pa×s	428.26	Calculated Property
η	0.0001928	Pa×s	454.14	Calculated Property
η	0.0001619	Pa×s	480.03	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde dimethyl acetal.

Sources

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

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