Chemical Properties of 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole (CAS 526-07-8)

InChI

InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2

InChI Key

ZZMNWJVJUKMZJY-UHFFFAOYSA-N

Formula

C20H18O7

SMILES

c1cc2c(cc1OC1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2

Molecular Weight¹

370.35

CAS

526-07-8

• 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	0.7858		Relay (... Calculated Property
ΔfG°	-99.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-771.31	kJ/mol	Relay (... Calculated Property
ΔfusH°	71.48	kJ/mol	Joback Calculated Property
ΔvapH°	130.47	kJ/mol	Relay (... Calculated Property
IE	7.75	eV	Relay (... Calculated Property
log10WS	-4.19		Relay (... Calculated Property
logPoct/wat	2.883		Crippen Calculated Property
McVol	242.790	ml/mol	McGowan Calculated Property
Pc	2410.00	kPa	Joback Calculated Property
Inp	[3208.40; 3208.40]
Inp	3208.40		NIST
Inp	3208.40		NIST
Tboil	718.73	K	Relay (... Calculated Property
Tc	1050.50	K	Relay (... Calculated Property
Tfus	406.72	K	Relay (... Calculated Property
Vc	1.004	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[842.77; 924.58]	J/mol×K	[949.90; 1212.72]
Cp,gas	842.77	J/mol×K	949.90	Joback Calculated Property
Cp,gas	857.96	J/mol×K	993.70	Joback Calculated Property
Cp,gas	872.26	J/mol×K	1037.51	Joback Calculated Property
Cp,gas	885.86	J/mol×K	1081.31	Joback Calculated Property
Cp,gas	898.98	J/mol×K	1125.11	Joback Calculated Property
Cp,gas	911.82	J/mol×K	1168.92	Joback Calculated Property
Cp,gas	924.58	J/mol×K	1212.72	Joback Calculated Property
η	[0.0018052; 0.0042671]	Pa×s	[664.45; 949.90]
η	0.0042671	Pa×s	664.45	Joback Calculated Property
η	0.0035242	Pa×s	712.02	Joback Calculated Property
η	0.0029813	Pa×s	759.60	Joback Calculated Property
η	0.0025722	Pa×s	807.17	Joback Calculated Property
η	0.0022560	Pa×s	854.75	Joback Calculated Property
η	0.0020062	Pa×s	902.32	Joback Calculated Property
η	0.0018052	Pa×s	949.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole.

Sources

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

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