Chemical Properties of 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol (CAS 68527-74-2)

InChI

InChI=1S/C11H14O4/c1-7-6-14-11(15-7)8-3-4-9(12)10(5-8)13-2/h3-5,7,11-12H,6H2,1-2H3

InChI Key

RFGCVZIIIHRESZ-UHFFFAOYSA-N

Formula

C11H14O4

SMILES

COc1cc(C2OCC(C)O2)ccc1O

Molecular Weight¹

210.23

CAS

68527-74-2

Other Names

• Vanillin 1,2-propylene glycol acetal

• 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.
• 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°	-258.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-578.70	kJ/mol	Joback Calculated Property
ΔfusH°	35.83	kJ/mol	Joback Calculated Property
ΔvapH°	67.41	kJ/mol	Joback Calculated Property
log10WS	-1.91		Crippen Calculated Property
logPoct/wat	1.835		Crippen Calculated Property
McVol	154.710	ml/mol	McGowan Calculated Property
Pc	3472.45	kPa	Joback Calculated Property
Inp	[1685.60; 1685.60]
Inp	1685.60		NIST
Inp	1685.60		NIST
Tboil	650.29	K	Joback Calculated Property
Tc	888.93	K	Joback Calculated Property
Tfus	446.42	K	Joback Calculated Property
Vc	0.509	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.90; 508.41]	J/mol×K	[650.29; 888.93]
Cp,gas	430.90	J/mol×K	650.29	Joback Calculated Property
Cp,gas	446.19	J/mol×K	690.06	Joback Calculated Property
Cp,gas	460.43	J/mol×K	729.84	Joback Calculated Property
Cp,gas	473.70	J/mol×K	769.61	Joback Calculated Property
Cp,gas	486.07	J/mol×K	809.38	Joback Calculated Property
Cp,gas	497.62	J/mol×K	849.16	Joback Calculated Property
Cp,gas	508.41	J/mol×K	888.93	Joback Calculated Property
η	[0.0000340; 0.0005967]	Pa×s	[446.42; 650.29]
η	0.0005967	Pa×s	446.42	Joback Calculated Property
η	0.0003126	Pa×s	480.40	Joback Calculated Property
η	0.0001784	Pa×s	514.38	Joback Calculated Property
η	0.0001091	Pa×s	548.36	Joback Calculated Property
η	0.0000707	Pa×s	582.33	Joback Calculated Property
η	0.0000480	Pa×s	616.31	Joback Calculated Property
η	0.0000340	Pa×s	650.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol.

Sources

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

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