Chemical Properties of 2H-Naphtho[1,2-b]pyran-5-carboxylate, 2,2-dimethyl-6-hydroxy-, methyl ester (CAS 55481-88-4)

InChI

InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3

InChI Key

VLGATXOTCNBWIT-UHFFFAOYSA-N

Formula

C17H16O4

SMILES

COC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)C=C2

Molecular Weight¹

284.31

CAS

55481-88-4

Other Names

• Mollugin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-119.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-415.47	kJ/mol	Joback Calculated Property
ΔfusH°	37.19	kJ/mol	Joback Calculated Property
ΔvapH°	85.24	kJ/mol	Joback Calculated Property
log10WS	-4.85		Crippen Calculated Property
logPoct/wat	3.516		Crippen Calculated Property
McVol	211.190	ml/mol	McGowan Calculated Property
Pc	2778.85	kPa	Joback Calculated Property
Inp	[2237.00; 2237.00]
Inp	2237.00		NIST
Inp	2237.00		NIST
Tboil	843.23	K	Joback Calculated Property
Tc	1092.70	K	Joback Calculated Property
Tfus	627.56	K	Joback Calculated Property
Vc	0.746	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[624.94; 726.20]	J/mol×K	[843.23; 1092.70]
Cp,gas	624.94	J/mol×K	843.23	Joback Calculated Property
Cp,gas	640.31	J/mol×K	884.81	Joback Calculated Property
Cp,gas	655.91	J/mol×K	926.39	Joback Calculated Property
Cp,gas	672.02	J/mol×K	967.97	Joback Calculated Property
Cp,gas	688.91	J/mol×K	1009.54	Joback Calculated Property
Cp,gas	706.88	J/mol×K	1051.12	Joback Calculated Property
Cp,gas	726.20	J/mol×K	1092.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Naphtho[1,2-b]pyran-5-carboxylate, 2,2-dimethyl-6-hydroxy-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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