Chemical Properties of p-Benzoquinone, 1-methoxy-5-hydroxymethyl

InChI

InChI=1S/C8H8O4/c1-12-8-3-6(10)5(4-9)2-7(8)11/h2-3,9H,4H2,1H3

InChI Key

KTTQYVYUXZOVEN-UHFFFAOYSA-N

Formula

C8H8O4

SMILES

COC1=CC(=O)C(CO)=CC1=O

Molecular Weight¹

168.15

• 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°	-397.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-601.02	kJ/mol	Joback Calculated Property
ΔfusH°	13.20	kJ/mol	Joback Calculated Property
ΔvapH°	63.63	kJ/mol	Joback Calculated Property
log10WS	-0.18		Crippen Calculated Property
logPoct/wat	-0.413		Crippen Calculated Property
McVol	119.000	ml/mol	McGowan Calculated Property
Pc	4103.88	kPa	Joback Calculated Property
Inp	[1540.00; 1573.00]
Inp	1540.00		NIST
Inp	1549.00		NIST
Inp	1562.00		NIST
Inp	1573.00		NIST
Tboil	665.18	K	Joback Calculated Property
Tc	885.89	K	Joback Calculated Property
Tfus	437.59	K	Joback Calculated Property
Vc	0.441	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.51; 360.49]	J/mol×K	[665.18; 885.89]
Cp,gas	305.51	J/mol×K	665.18	Joback Calculated Property
Cp,gas	316.36	J/mol×K	701.97	Joback Calculated Property
Cp,gas	326.61	J/mol×K	738.75	Joback Calculated Property
Cp,gas	336.20	J/mol×K	775.54	Joback Calculated Property
Cp,gas	345.09	J/mol×K	812.32	Joback Calculated Property
Cp,gas	353.20	J/mol×K	849.11	Joback Calculated Property
Cp,gas	360.49	J/mol×K	885.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to p-Benzoquinone, 1-methoxy-5-hydroxymethyl.

Sources

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

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