Chemical Properties of Licarin B (CAS 51020-87-2)

InChI

InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3/b5-4+

InChI Key

DMMQXURQRMNSBM-SNAWJCMRSA-N

Formula

C20H20O4

SMILES

CC=Cc1cc(OC)c2c(c1)C(C)C(c1ccc3c(c1)OCO3)O2

Molecular Weight¹

324.37

CAS

51020-87-2

• 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°	55.29	kJ/mol	Joback Calculated Property
logPoct/wat	4.694		Crippen Calculated Property
McVol	242.600	ml/mol	McGowan Calculated Property
Inp	[2720.00; 2720.00]
Inp	2720.00		NIST
Inp	2720.00		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	[334.60; 804.85]	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			-4.88100e+01
Coefficient B			1.69816e+00
Coefficient C			-1.16290e-03
Coefficient D			3.18400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.60	J/mol×K	273.00	Calculated Property
Cp,gas	420.51	J/mol×K	353.78	Calculated Property
Cp,gas	495.66	J/mol×K	434.56	Calculated Property
Cp,gas	561.05	J/mol×K	515.33	Calculated Property
Cp,gas	617.69	J/mol×K	596.11	Calculated Property
Cp,gas	666.59	J/mol×K	676.89	Calculated Property
Cp,gas	708.74	J/mol×K	757.67	Calculated Property
Cp,gas	745.17	J/mol×K	838.44	Calculated Property
Cp,gas	776.87	J/mol×K	919.22	Calculated Property
Cp,gas	804.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013347; 0.0005814]	Pa×s	[563.34; 768.86]	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			-9.72810e+00
Coefficient B			1.75144e+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.			563.34
Temperature range, max.			768.86
η	0.0013347	Pa×s	563.34	Calculated Property
η	0.0011824	Pa×s	586.18	Calculated Property
η	0.0010571	Pa×s	609.01	Calculated Property
η	0.0009528	Pa×s	631.85	Calculated Property
η	0.0008649	Pa×s	654.68	Calculated Property
η	0.0007904	Pa×s	677.52	Calculated Property
η	0.0007265	Pa×s	700.35	Calculated Property
η	0.0006713	Pa×s	723.19	Calculated Property
η	0.0006234	Pa×s	746.02	Calculated Property
η	0.0005814	Pa×s	768.86	Calculated Property

Similar Compounds

Find more compounds similar to Licarin B.

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.
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