Chemical Properties of 3-(2-Hydroxy-4-methyl-phenyl)-butan-2-one

InChI

InChI=1S/C11H14O2/c1-7-4-5-10(11(13)6-7)8(2)9(3)12/h4-6,8,13H,1-3H3

InChI Key

YWKYLGVKGIAHDU-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CC(=O)C(C)c1ccc(C)cc1O

Molecular Weight¹

178.23

• 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 : 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°	-141.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.48	kJ/mol	Joback Calculated Property
ΔfusH°	21.76	kJ/mol	Joback Calculated Property
ΔvapH°	62.39	kJ/mol	Joback Calculated Property
log10WS	-2.38		Crippen Calculated Property
logPoct/wat	2.393		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Pc	3310.55	kPa	Joback Calculated Property
I	[2605.00; 2605.00]
I	2605.00		NIST
I	2605.00		NIST
Tboil	616.79	K	Joback Calculated Property
Tc	844.69	K	Joback Calculated Property
Tfus	399.32	K	Joback Calculated Property
Vc	0.509	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[373.96; 441.73]	J/mol×K	[616.79; 844.69]
Cp,gas	373.96	J/mol×K	616.79	Joback Calculated Property
Cp,gas	387.15	J/mol×K	654.77	Joback Calculated Property
Cp,gas	399.48	J/mol×K	692.76	Joback Calculated Property
Cp,gas	411.03	J/mol×K	730.74	Joback Calculated Property
Cp,gas	421.86	J/mol×K	768.73	Joback Calculated Property
Cp,gas	432.07	J/mol×K	806.71	Joback Calculated Property
Cp,gas	441.73	J/mol×K	844.69	Joback Calculated Property
η	[0.0000325; 0.0012402]	Pa×s	[399.32; 616.79]
η	0.0012402	Pa×s	399.32	Joback Calculated Property
η	0.0005250	Pa×s	435.56	Joback Calculated Property
η	0.0002536	Pa×s	471.81	Joback Calculated Property
η	0.0001359	Pa×s	508.05	Joback Calculated Property
η	0.0000792	Pa×s	544.30	Joback Calculated Property
η	0.0000493	Pa×s	580.54	Joback Calculated Property
η	0.0000325	Pa×s	616.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(2-Hydroxy-4-methyl-phenyl)-butan-2-one.

Sources

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

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