Chemical Properties of 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl- (CAS 28564-83-2)

InChI

InChI=1S/C6H8O4/c1-3-5(8)6(9)4(7)2-10-3/h4,7-8H,2H2,1H3

InChI Key

VOLMSPGWNYJHQQ-UHFFFAOYSA-N

Formula

C6H8O4

SMILES

CC1=C(O)C(=O)C(O)CO1

Molecular Weight¹

144.13

CAS

28564-83-2

Other Names

• 3,5-Dihydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one
• 2,3-dihydro-3,5-dihydroxy--6-methyl-4H-pyran-4-one
• Pyranone
• 2,3-Dihydro-3,5-dihydroxy-6-methyl-4-pyrone
• 3-Hydroxy-2,3-dihydromaltol
• 3,5-Dihydroxy-2,3-dihydro-6-methyl-4-pyran-4-one, dihydroxy maltol
• 2,3-dihydro-3,5-dihydroxy-6-methyl-4(4H)-pyranone
• 2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one (pyranone)
• 2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyrene-4-one

• 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.
• I : 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°	-447.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-652.17	kJ/mol	Joback Calculated Property
ΔfusH°	19.24	kJ/mol	Joback Calculated Property
ΔvapH°	73.11	kJ/mol	Joback Calculated Property
log10WS	-0.14		Crippen Calculated Property
logPoct/wat	-0.264		Crippen Calculated Property
McVol	99.420	ml/mol	McGowan Calculated Property
Pc	5304.68	kPa	Joback Calculated Property
Inp	[1107.00; 1167.00]
Inp	1107.00		NIST
Inp	1134.00		NIST
Inp	1154.40		NIST
Inp	1130.00		NIST
Inp	1119.00		NIST
Inp	1162.00		NIST
Inp	1151.00		NIST
Inp	1153.00		NIST
Inp	1162.00		NIST
Inp	1140.00		NIST
Inp	1115.00		NIST
Inp	1133.00		NIST
Inp	1149.00		NIST
Inp	1131.00		NIST
Inp	1124.00		NIST
Inp	1124.00		NIST
Inp	1124.00		NIST
Inp	1115.00		NIST
Inp	1167.00		NIST
Inp	1144.00		NIST
Inp	1123.00		NIST
Inp	1149.00		NIST
Inp	1120.00		NIST
Inp	1124.00		NIST
Inp	1154.40		NIST
Inp	1162.00		NIST
Inp	1115.00		NIST
Inp	1124.00		NIST
Inp	1123.00		NIST
Inp	1149.00		NIST
Inp	1107.00		NIST
I	[2225.00; 2311.00]
I	2266.00		NIST
I	2239.00		NIST
I	2274.00		NIST
I	2275.00		NIST
I	2311.00		NIST
I	2267.00		NIST
I	2295.00		NIST
I	2311.00		NIST
I	2264.00		NIST
I	2278.00		NIST
I	2300.00		NIST
I	2225.00		NIST
I	2229.00		NIST
I	2240.00		NIST
I	2240.00		NIST
I	2239.00		NIST
I	2275.00		NIST
Tboil	644.48	K	Joback Calculated Property
Tc	844.28	K	Joback Calculated Property
Tfus	406.99	K	Joback Calculated Property
Vc	0.356	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[264.35; 309.95]	J/mol×K	[644.48; 844.28]
Cp,gas	264.35	J/mol×K	644.48	Joback Calculated Property
Cp,gas	273.10	J/mol×K	677.78	Joback Calculated Property
Cp,gas	281.42	J/mol×K	711.08	Joback Calculated Property
Cp,gas	289.28	J/mol×K	744.38	Joback Calculated Property
Cp,gas	296.67	J/mol×K	777.68	Joback Calculated Property
Cp,gas	303.56	J/mol×K	810.98	Joback Calculated Property
Cp,gas	309.95	J/mol×K	844.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-.

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.