Chemical Properties of 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)- (CAS 607-80-7)

InChI

InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2

InChI Key

PEYUIKBAABKQKQ-UHFFFAOYSA-N

Formula

C20H18O6

SMILES

c1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2

Molecular Weight¹

354.35

CAS

607-80-7

Other Names

• sesamin
• (1S,3aR,4S,6aR)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan

• 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°	5.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-542.07	kJ/mol	Joback Calculated Property
ΔfusH°	70.30	kJ/mol	Joback Calculated Property
ΔvapH°	94.37	kJ/mol	Joback Calculated Property
log10WS	-4.38		Crippen Calculated Property
logPoct/wat	3.219		Crippen Calculated Property
McVol	236.920	ml/mol	McGowan Calculated Property
Pc	2450.74	kPa	Joback Calculated Property
Inp	[3150.90; 3150.90]
Inp	3150.90		NIST
Inp	3150.90		NIST
Tboil	927.48	K	Joback Calculated Property
Tc	1193.90	K	Joback Calculated Property
Tfus	642.22	K	Joback Calculated Property
Vc	0.877	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.93; 904.09]	J/mol×K	[927.48; 1193.90]
Cp,gas	815.93	J/mol×K	927.48	Joback Calculated Property
Cp,gas	831.91	J/mol×K	971.88	Joback Calculated Property
Cp,gas	847.04	J/mol×K	1016.29	Joback Calculated Property
Cp,gas	861.58	J/mol×K	1060.69	Joback Calculated Property
Cp,gas	875.78	J/mol×K	1105.10	Joback Calculated Property
Cp,gas	889.86	J/mol×K	1149.50	Joback Calculated Property
Cp,gas	904.09	J/mol×K	1193.90	Joback Calculated Property
η	[0.0023380; 0.0054836]	Pa×s	[642.22; 927.48]
η	0.0054836	Pa×s	642.22	Joback Calculated Property
η	0.0045300	Pa×s	689.76	Joback Calculated Property
η	0.0038355	Pa×s	737.31	Joback Calculated Property
η	0.0033137	Pa×s	784.85	Joback Calculated Property
η	0.0029111	Pa×s	832.39	Joback Calculated Property
η	0.0025934	Pa×s	879.94	Joback Calculated Property
η	0.0023380	Pa×s	927.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)-.

Sources

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

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