Chemical Properties of 5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole) (CAS 110269-50-6)

InChI

InChI=1S/C20H22O4/c1-13(7-15-3-5-17-19(9-15)23-11-21-17)14(2)8-16-4-6-18-20(10-16)24-12-22-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3

InChI Key

QEFJURUMSHPMTC-UHFFFAOYSA-N

Formula

C20H22O4

SMILES

CC(Cc1ccc2c(c1)OCO2)C(C)Cc1ccc2c(c1)OCO2

Molecular Weight¹

326.39

CAS

110269-50-6

• 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°	91.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-381.23	kJ/mol	Joback Calculated Property
ΔfusH°	53.08	kJ/mol	Joback Calculated Property
ΔvapH°	85.02	kJ/mol	Joback Calculated Property
log10WS	-5.50		Crippen Calculated Property
logPoct/wat	4.201		Crippen Calculated Property
McVol	246.900	ml/mol	McGowan Calculated Property
Pc	2010.90	kPa	Joback Calculated Property
Inp	[2598.30; 2598.30]
Inp	2598.30		NIST
Inp	2598.30		NIST
Tboil	860.02	K	Joback Calculated Property
Tc	1101.32	K	Joback Calculated Property
Tfus	538.72	K	Joback Calculated Property
Vc	0.927	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[776.12; 859.78]	J/mol×K	[860.02; 1101.32]
Cp,gas	776.12	J/mol×K	860.02	Joback Calculated Property
Cp,gas	791.87	J/mol×K	900.24	Joback Calculated Property
Cp,gas	806.69	J/mol×K	940.45	Joback Calculated Property
Cp,gas	820.73	J/mol×K	980.67	Joback Calculated Property
Cp,gas	834.16	J/mol×K	1020.89	Joback Calculated Property
Cp,gas	847.12	J/mol×K	1061.11	Joback Calculated Property
Cp,gas	859.78	J/mol×K	1101.32	Joback Calculated Property
η	[0.0002992; 0.0016967]	Pa×s	[538.72; 860.02]
η	0.0016967	Pa×s	538.72	Joback Calculated Property
η	0.0011148	Pa×s	592.27	Joback Calculated Property
η	0.0007854	Pa×s	645.82	Joback Calculated Property
η	0.0005838	Pa×s	699.37	Joback Calculated Property
η	0.0004526	Pa×s	752.92	Joback Calculated Property
η	0.0003630	Pa×s	806.47	Joback Calculated Property
η	0.0002992	Pa×s	860.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole).

Sources

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

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