Chemical Properties of (2R,3S,5S,6R)-2,5-bis(4-Methoxyphenyl)-3,6-dimethyl-1,4-dioxane-rel- (CAS 212516-42-2)

InChI

InChI=1S/C20H24O4/c1-13-19(15-5-9-17(21-3)10-6-15)24-14(2)20(23-13)16-7-11-18(22-4)12-8-16/h5-14,19-20H,1-4H3

InChI Key

TWEGIGPRPZZEHS-UHFFFAOYSA-N

Formula

C20H24O4

SMILES

COc1ccc(C2OC(C)C(c3ccc(OC)cc3)OC2C)cc1

Molecular Weight¹

328.40

CAS

212516-42-2

• 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°	-57.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-541.15	kJ/mol	Joback Calculated Property
ΔfusH°	48.24	kJ/mol	Joback Calculated Property
ΔvapH°	79.33	kJ/mol	Joback Calculated Property
log10WS	-5.01		Crippen Calculated Property
logPoct/wat	4.310		Crippen Calculated Property
McVol	257.760	ml/mol	McGowan Calculated Property
Pc	1663.26	kPa	Joback Calculated Property
Inp	[2566.80; 2566.80]
Inp	2566.80		NIST
Inp	2566.80		NIST
Tboil	824.60	K	Joback Calculated Property
Tc	1062.24	K	Joback Calculated Property
Tfus	485.30	K	Joback Calculated Property
Vc	0.948	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[818.48; 905.56]	J/mol×K	[824.60; 1062.24]
Cp,gas	818.48	J/mol×K	824.60	Joback Calculated Property
Cp,gas	837.59	J/mol×K	864.21	Joback Calculated Property
Cp,gas	854.85	J/mol×K	903.81	Joback Calculated Property
Cp,gas	870.26	J/mol×K	943.42	Joback Calculated Property
Cp,gas	883.85	J/mol×K	983.03	Joback Calculated Property
Cp,gas	895.61	J/mol×K	1022.63	Joback Calculated Property
Cp,gas	905.56	J/mol×K	1062.24	Joback Calculated Property
η	[0.0000998; 0.0006648]	Pa×s	[485.30; 824.60]
η	0.0006648	Pa×s	485.30	Joback Calculated Property
η	0.0004109	Pa×s	541.85	Joback Calculated Property
η	0.0002782	Pa×s	598.40	Joback Calculated Property
η	0.0002014	Pa×s	654.95	Joback Calculated Property
η	0.0001535	Pa×s	711.50	Joback Calculated Property
η	0.0001218	Pa×s	768.05	Joback Calculated Property
η	0.0000998	Pa×s	824.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2R,3S,5S,6R)-2,5-bis(4-Methoxyphenyl)-3,6-dimethyl-1,4-dioxane-rel-.

Sources

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

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