Chemical Properties of 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)- (CAS 56701-24-7)

InChI

InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3

InChI Key

XRVFNNUXNVWYTI-UHFFFAOYSA-N

Formula

C16H16O4

SMILES

COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1

Molecular Weight¹

272.30

CAS

56701-24-7

Other Names

• 3-(2-Hydroxy-4-methoxyphenyl)chroman-7-ol

• 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°	-162.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-475.65	kJ/mol	Joback Calculated Property
ΔfusH°	41.27	kJ/mol	Joback Calculated Property
ΔvapH°	90.12	kJ/mol	Joback Calculated Property
log10WS	-3.08		Crippen Calculated Property
logPoct/wat	2.825		Crippen Calculated Property
McVol	201.400	ml/mol	McGowan Calculated Property
Pc	3480.65	kPa	Joback Calculated Property
Inp	[2802.30; 2802.30]
Inp	2802.30		NIST
Inp	2802.30		NIST
Tboil	850.42	K	Joback Calculated Property
Tc	1110.99	K	Joback Calculated Property
Tfus	634.62	K	Joback Calculated Property
Vc	0.635	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[617.76; 701.95]	J/mol×K	[850.42; 1110.99]
Cp,gas	617.76	J/mol×K	850.42	Joback Calculated Property
Cp,gas	632.21	J/mol×K	893.85	Joback Calculated Property
Cp,gas	646.20	J/mol×K	937.28	Joback Calculated Property
Cp,gas	659.94	J/mol×K	980.71	Joback Calculated Property
Cp,gas	673.67	J/mol×K	1024.14	Joback Calculated Property
Cp,gas	687.60	J/mol×K	1067.56	Joback Calculated Property
Cp,gas	701.95	J/mol×K	1110.99	Joback Calculated Property
η	[0.0000006; 0.0000095]	Pa×s	[634.62; 850.42]
η	0.0000095	Pa×s	634.62	Joback Calculated Property
η	0.0000053	Pa×s	670.59	Joback Calculated Property
η	0.0000032	Pa×s	706.55	Joback Calculated Property
η	0.0000020	Pa×s	742.52	Joback Calculated Property
η	0.0000013	Pa×s	778.49	Joback Calculated Property
η	0.0000009	Pa×s	814.45	Joback Calculated Property
η	0.0000006	Pa×s	850.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-.

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.