Chemical Properties of Licarin A

InChI

InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5-

InChI Key

ITDOFWOJEDZPCF-AATRIKPKSA-N

Formula

C20H22O4

SMILES

C/C=C/c1cc(OC)c2c(c1)C(C)C(c1ccc(O)c(OC)c1)O2

Molecular Weight¹

326.39

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.63	kJ/mol	Joback Calculated Property
logPoct/wat	4.680		Crippen Calculated Property
McVol	253.460	ml/mol	McGowan Calculated Property
Inp	[2722.90; 2722.90]
Inp	2722.90		NIST
Inp	2722.90		NIST
Tboil	660.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[794.21; 879.56]	J/mol×K	[888.92; 1126.95]
Cp,gas	794.21	J/mol×K	888.92	Joback Calculated Property
Cp,gas	810.09	J/mol×K	928.59	Joback Calculated Property
Cp,gas	825.15	J/mol×K	968.26	Joback Calculated Property
Cp,gas	839.51	J/mol×K	1007.94	Joback Calculated Property
Cp,gas	853.29	J/mol×K	1047.61	Joback Calculated Property
Cp,gas	866.60	J/mol×K	1087.28	Joback Calculated Property
Cp,gas	879.56	J/mol×K	1126.95	Joback Calculated Property
η	[0.0000087; 0.0000779]	Pa×s	[609.45; 888.92]
η	0.0000779	Pa×s	609.45	Joback Calculated Property
η	0.0000475	Pa×s	656.03	Joback Calculated Property
η	0.0000309	Pa×s	702.61	Joback Calculated Property
η	0.0000212	Pa×s	749.18	Joback Calculated Property
η	0.0000152	Pa×s	795.76	Joback Calculated Property
η	0.0000113	Pa×s	842.34	Joback Calculated Property
η	0.0000087	Pa×s	888.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Licarin A.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.