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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[355.32; 836.69]	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			-2.49900e+01
Coefficient B			1.67768e+00
Coefficient C			-1.12750e-03
Coefficient D			3.11500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	355.32	J/mol×K	273.00	Calculated Property
Cp,gas	441.21	J/mol×K	353.78	Calculated Property
Cp,gas	516.70	J/mol×K	434.56	Calculated Property
Cp,gas	582.78	J/mol×K	515.33	Calculated Property
Cp,gas	640.42	J/mol×K	596.11	Calculated Property
Cp,gas	690.62	J/mol×K	676.89	Calculated Property
Cp,gas	734.37	J/mol×K	757.67	Calculated Property
Cp,gas	772.63	J/mol×K	838.44	Calculated Property
Cp,gas	806.41	J/mol×K	919.22	Calculated Property
Cp,gas	836.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000779; 0.0000159]	Pa×s	[609.45; 789.04]	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			-1.64369e+01
Coefficient B			4.25198e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			609.45
Temperature range, max.			789.04
η	0.0000779	Pa×s	609.45	Calculated Property
η	0.0000624	Pa×s	629.40	Calculated Property
η	0.0000507	Pa×s	649.36	Calculated Property
η	0.0000417	Pa×s	669.31	Calculated Property
η	0.0000347	Pa×s	689.27	Calculated Property
η	0.0000292	Pa×s	709.22	Calculated Property
η	0.0000248	Pa×s	729.18	Calculated Property
η	0.0000212	Pa×s	749.13	Calculated Property
η	0.0000183	Pa×s	769.09	Calculated Property
η	0.0000159	Pa×s	789.04	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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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