Chemical Properties of 4-(4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol (CAS 63253-24-7)

InChI

InChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3

InChI Key

JZJHVHUFPUYAJF-UHFFFAOYSA-N

Formula

C12H16O4

SMILES

COc1cc(C2OC(C)C(C)O2)ccc1O

Molecular Weight¹

224.25

CAS

63253-24-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-613.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.49	kJ/mol	Joback Calculated Property
ΔvapH°	83.38	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.58		Relay (1.0) Calculated Property
logPoct/wat	2.223		Crippen Calculated Property
McVol	168.800	ml/mol	McGowan Calculated Property
Inp	[1750.90; 1750.90]
Inp	1750.90		NIST
Inp	1750.90		NIST
Tboil	562.98	K	Relay (1.0) Calculated Property
Tfus	390.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.66; 593.43]	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			-2.50100e+01
Coefficient B			1.16956e+00
Coefficient C			-7.27320e-04
Coefficient D			1.76200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.66	J/mol×K	273.00	Calculated Property
Cp,gas	305.53	J/mol×K	353.78	Calculated Property
Cp,gas	360.34	J/mol×K	434.56	Calculated Property
Cp,gas	408.66	J/mol×K	515.33	Calculated Property
Cp,gas	451.05	J/mol×K	596.11	Calculated Property
Cp,gas	488.06	J/mol×K	676.89	Calculated Property
Cp,gas	520.24	J/mol×K	757.67	Calculated Property
Cp,gas	548.16	J/mol×K	838.44	Calculated Property
Cp,gas	572.37	J/mol×K	919.22	Calculated Property
Cp,gas	593.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005477; 0.0000475]	Pa×s	[453.45; 631.87]	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			-1.61692e+01
Coefficient B			3.92665e+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.			453.45
Temperature range, max.			631.87
η	0.0005477	Pa×s	453.45	Calculated Property
η	0.0003811	Pa×s	473.27	Calculated Property
η	0.0002730	Pa×s	493.10	Calculated Property
η	0.0002007	Pa×s	512.92	Calculated Property
η	0.0001509	Pa×s	532.75	Calculated Property
η	0.0001159	Pa×s	552.57	Calculated Property
η	0.0000906	Pa×s	572.40	Calculated Property
η	0.0000720	Pa×s	592.22	Calculated Property
η	0.0000581	Pa×s	612.05	Calculated Property
η	0.0000475	Pa×s	631.87	Calculated Property

Similar Compounds

Find more compounds similar to 4-(4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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