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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	71.48	kJ/mol	Joback Calculated Property
logPoct/wat	2.883		Crippen Calculated Property
McVol	242.790	ml/mol	McGowan Calculated Property
Inp	[3208.40; 3208.40]
Inp	3208.40		NIST
Inp	3208.40		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.46; 860.07]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.07690e+02
Coefficient B			2.01120e+00
Coefficient C			-1.45204e-03
Coefficient D			4.08600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.46	J/mol×K	273.00	Calculated Property
Cp,gas	440.18	J/mol×K	353.78	Calculated Property
Cp,gas	525.62	J/mol×K	434.56	Calculated Property
Cp,gas	599.05	J/mol×K	515.33	Calculated Property
Cp,gas	661.78	J/mol×K	596.11	Calculated Property
Cp,gas	715.10	J/mol×K	676.89	Calculated Property
Cp,gas	760.29	J/mol×K	757.67	Calculated Property
Cp,gas	798.66	J/mol×K	838.44	Calculated Property
Cp,gas	831.49	J/mol×K	919.22	Calculated Property
Cp,gas	860.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042671; 0.0022897]	Pa×s	[664.45; 849.08]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.31953e+00
Coefficient B			1.90213e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			664.45
Temperature range, max.			849.08
η	0.0042671	Pa×s	664.45	Calculated Property
η	0.0039165	Pa×s	684.96	Calculated Property
η	0.0036127	Pa×s	705.48	Calculated Property
η	0.0033476	Pa×s	725.99	Calculated Property
η	0.0031151	Pa×s	746.51	Calculated Property
η	0.0029099	Pa×s	767.02	Calculated Property
η	0.0027278	Pa×s	787.54	Calculated Property
η	0.0025656	Pa×s	808.05	Calculated Property
η	0.0024203	Pa×s	828.57	Calculated Property
η	0.0022897	Pa×s	849.08	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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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