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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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
ΔfusH°	44.09	kJ/mol	Joback Calculated Property
IE	7.89	eV	Relay (1.0) Calculated Property
logPoct/wat	3.879		Crippen Calculated Property
McVol	229.580	ml/mol	McGowan Calculated Property
Inp	[2452.90; 2452.90]
Inp	2452.90		NIST
Inp	2452.90		NIST
Tboil	634.09	K	Relay (1.0) Calculated Property
Tfus	389.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[695.94; 782.29]	J/mol×K	[779.44; 1018.87]
Cp,gas	695.94	J/mol×K	779.44	Joback Calculated Property
Cp,gas	714.26	J/mol×K	819.34	Joback Calculated Property
Cp,gas	730.97	J/mol×K	859.25	Joback Calculated Property
Cp,gas	746.11	J/mol×K	899.15	Joback Calculated Property
Cp,gas	759.69	J/mol×K	939.06	Joback Calculated Property
Cp,gas	771.74	J/mol×K	978.96	Joback Calculated Property
Cp,gas	782.29	J/mol×K	1018.87	Joback Calculated Property
η	[0.0001399; 0.0008089]	Pa×s	[470.52; 779.44]
η	0.0008089	Pa×s	470.52	Joback Calculated Property
η	0.0005227	Pa×s	522.01	Joback Calculated Property
η	0.0003653	Pa×s	573.49	Joback Calculated Property
η	0.0002708	Pa×s	624.98	Joback Calculated Property
η	0.0002102	Pa×s	676.47	Joback Calculated Property
η	0.0001690	Pa×s	727.95	Joback Calculated Property
η	0.0001399	Pa×s	779.44	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)
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.