Chemical Properties of (2R,4R,5S)-2,4-bis(4-Methoxyphenyl)-5-methyl-1,3-dioxolane-rel- (CAS 212516-36-4)

InChI

InChI=1S/C18H20O4/c1-12-17(13-4-8-15(19-2)9-5-13)22-18(21-12)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3

InChI Key

LYZZEJQTEOAYRE-UHFFFAOYSA-N

Formula

C18H20O4

SMILES

COc1ccc(C2OC(C)C(c3ccc(OC)cc3)O2)cc1

Molecular Weight¹

300.35

CAS

212516-36-4

• ω : Acentric Factor.
• 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).
• 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.
• 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
ω	0.6312		Relay (1.0) Calculated Property
ΔfG°	-54.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-450.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.09	kJ/mol	Joback Calculated Property
ΔvapH°	107.68	kJ/mol	Relay (1.0) Calculated Property
IE	7.89	eV	Relay (1.0) Calculated Property
log10WS	-3.27		Relay (1.0) Calculated Property
logPoct/wat	3.879		Crippen Calculated Property
McVol	229.580	ml/mol	McGowan Calculated Property
Pc	1971.80	kPa	Joback Calculated Property
Inp	[2452.90; 2452.90]
Inp	2452.90		NIST
Inp	2452.90		NIST
Tboil	634.09	K	Relay (1.0) Calculated Property
Tc	894.91	K	Relay (1.0) Calculated Property
Tfus	395.57	K	Relay (1.0) Calculated Property
Vc	0.860	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[695.85; 782.23]	J/mol×K	[779.24; 1018.61]
Cp,gas	695.85	J/mol×K	779.24	Joback Calculated Property
Cp,gas	714.16	J/mol×K	819.13	Joback Calculated Property
Cp,gas	730.88	J/mol×K	859.03	Joback Calculated Property
Cp,gas	746.02	J/mol×K	898.92	Joback Calculated Property
Cp,gas	759.61	J/mol×K	938.82	Joback Calculated Property
Cp,gas	771.67	J/mol×K	978.71	Joback Calculated Property
Cp,gas	782.23	J/mol×K	1018.61	Joback Calculated Property
η	[0.0001400; 0.0008089]	Pa×s	[470.52; 779.24]
η	0.0008089	Pa×s	470.52	Joback Calculated Property
η	0.0005228	Pa×s	521.97	Joback Calculated Property
η	0.0003655	Pa×s	573.43	Joback Calculated Property
η	0.0002710	Pa×s	624.88	Joback Calculated Property
η	0.0002103	Pa×s	676.33	Joback Calculated Property
η	0.0001691	Pa×s	727.79	Joback Calculated Property
η	0.0001400	Pa×s	779.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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