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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-451.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.24	kJ/mol	Joback Calculated Property
ΔvapH°	117.15	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-3.67		Relay (1.0) 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	675.60	K	Relay (1.0) Calculated Property
Tc	908.69	K	Relay (1.0) Calculated Property
Tfus	416.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[818.58; 905.62]	J/mol×K	[824.80; 1062.50]
Cp,gas	818.58	J/mol×K	824.80	Joback Calculated Property
Cp,gas	837.68	J/mol×K	864.42	Joback Calculated Property
Cp,gas	854.94	J/mol×K	904.03	Joback Calculated Property
Cp,gas	870.35	J/mol×K	943.65	Joback Calculated Property
Cp,gas	883.92	J/mol×K	983.26	Joback Calculated Property
Cp,gas	895.68	J/mol×K	1022.88	Joback Calculated Property
Cp,gas	905.62	J/mol×K	1062.50	Joback Calculated Property
η	[0.0000997; 0.0006648]	Pa×s	[485.30; 824.80]
η	0.0006648	Pa×s	485.30	Joback Calculated Property
η	0.0004108	Pa×s	541.88	Joback Calculated Property
η	0.0002780	Pa×s	598.47	Joback Calculated Property
η	0.0002013	Pa×s	655.05	Joback Calculated Property
η	0.0001534	Pa×s	711.63	Joback Calculated Property
η	0.0001217	Pa×s	768.22	Joback Calculated Property
η	0.0000997	Pa×s	824.80	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

• Cheméo Relay (1.0)
• 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.