Chemical Properties of (6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-3-ol (CAS 2035-15-6)

InChI

InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m1/s1

InChI Key

HUKSJTUUSUGIDC-BDJLRTHQSA-N

Formula

C16H12O5

SMILES

Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4

Molecular Weight¹

284.26

CAS

2035-15-6

• 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	0.7643		Relay (1.0) Calculated Property
ΔfG°	-26.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-498.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.86	kJ/mol	Joback Calculated Property
ΔvapH°	128.92	kJ/mol	Relay (1.0) Calculated Property
IE	7.54	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	2.731		Crippen Calculated Property
McVol	185.550	ml/mol	McGowan Calculated Property
Pc	3713.49	kPa	Joback Calculated Property
Inp	[2724.90; 2724.90]
Inp	2724.90		NIST
Inp	2724.90		NIST
Tboil	681.72	K	Relay (1.0) Calculated Property
Tc	1035.63	K	Relay (1.0) Calculated Property
Tfus	456.50	K	Relay (1.0) Calculated Property
Vc	0.744	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[581.69; 663.99]	J/mol×K	[847.80; 1112.39]
Cp,gas	581.69	J/mol×K	847.80	Joback Calculated Property
Cp,gas	594.78	J/mol×K	891.90	Joback Calculated Property
Cp,gas	607.72	J/mol×K	936.00	Joback Calculated Property
Cp,gas	620.81	J/mol×K	980.09	Joback Calculated Property
Cp,gas	634.35	J/mol×K	1024.19	Joback Calculated Property
Cp,gas	648.64	J/mol×K	1068.29	Joback Calculated Property
Cp,gas	663.99	J/mol×K	1112.39	Joback Calculated Property
η	[0.0001719; 0.0006093]	Pa×s	[652.58; 847.80]
η	0.0006093	Pa×s	652.58	Joback Calculated Property
η	0.0004694	Pa×s	685.12	Joback Calculated Property
η	0.0003702	Pa×s	717.65	Joback Calculated Property
η	0.0002981	Pa×s	750.19	Joback Calculated Property
η	0.0002444	Pa×s	782.73	Joback Calculated Property
η	0.0002035	Pa×s	815.26	Joback Calculated Property
η	0.0001719	Pa×s	847.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to (6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-3-ol.

Sources

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

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