Chemical Properties of Phloroglucinol, isoBOC

InChI

InChI=1S/C21H30O9/c1-13(2)10-25-19(22)28-16-7-17(29-20(23)26-11-14(3)4)9-18(8-16)30-21(24)27-12-15(5)6/h7-9,13-15H,10-12H2,1-6H3

InChI Key

CLRHENLHECCSDP-UHFFFAOYSA-N

Formula

C21H30O9

SMILES

CC(C)COC(=O)Oc1cc(OC(=O)OCC(C)C)cc(OC(=O)OCC(C)C)c1

Molecular Weight¹

426.46

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[493.10; 1059.57]	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			1.26173e+02
Coefficient B			1.46472e+00
Coefficient C			-4.08520e-04
Coefficient D			-1.22800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	493.10	J/mol×K	273.00	Calculated Property
Cp,gas	587.79	J/mol×K	353.78	Calculated Property
Cp,gas	675.45	J/mol×K	434.56	Calculated Property
Cp,gas	755.70	J/mol×K	515.33	Calculated Property
Cp,gas	828.13	J/mol×K	596.11	Calculated Property
Cp,gas	892.37	J/mol×K	676.89	Calculated Property
Cp,gas	948.02	J/mol×K	757.67	Calculated Property
Cp,gas	994.69	J/mol×K	838.44	Calculated Property
Cp,gas	1032.01	J/mol×K	919.22	Calculated Property
Cp,gas	1059.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001883; 0.0000135]	Pa×s	[526.57; 821.31]	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			-1.59225e+01
Coefficient B			3.86759e+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.			526.57
Temperature range, max.			821.31
η	0.0001883	Pa×s	526.57	Calculated Property
η	0.0001225	Pa×s	559.32	Calculated Property
η	0.0000835	Pa×s	592.07	Calculated Property
η	0.0000593	Pa×s	624.82	Calculated Property
η	0.0000436	Pa×s	657.57	Calculated Property
η	0.0000330	Pa×s	690.32	Calculated Property
η	0.0000256	Pa×s	723.07	Calculated Property
η	0.0000203	Pa×s	755.81	Calculated Property
η	0.0000164	Pa×s	788.56	Calculated Property
η	0.0000135	Pa×s	821.31	Calculated Property

Similar Compounds

Find more compounds similar to Phloroglucinol, isoBOC.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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