Chemical Properties of Licarin A (CAS 51020-86-1)

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

CC=Cc1cc(OC)c2c(c1)C(C)C(c1ccc(O)c(OC)c1)O2

Molecular Weight¹

326.39

CAS

51020-86-1

• 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°	-13.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-433.02	kJ/mol	Joback Calculated Property
ΔfusH°	49.63	kJ/mol	Joback Calculated Property
ΔvapH°	89.22	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	4.680		Crippen Calculated Property
McVol	253.460	ml/mol	McGowan Calculated Property
Pc	1921.98	kPa	Joback Calculated Property
Inp	[2722.90; 2722.90]
Inp	2722.90		NIST
Inp	2722.90		NIST
Tboil	888.92	K	Joback Calculated Property
Tc	1126.95	K	Joback Calculated Property
Tfus	609.45	K	Joback Calculated Property
Vc	0.898	m3/kmol	Joback Calculated Property

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	749.19	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

• 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.