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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5831		Relay (... Calculated Property
ΔfG°	-141.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-339.16	kJ/mol	Relay (... Calculated Property
ΔfusH°	21.76	kJ/mol	Joback Calculated Property
ΔvapH°	78.99	kJ/mol	Relay (... Calculated Property
IE	7.82	eV	Relay (... Calculated Property
log10WS	-1.51		Relay (... 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	549.56	K	Relay (... Calculated Property
Tc	772.85	K	Relay (... Calculated Property
Tfus	362.43	K	Relay (... Calculated Property
Vc	0.512	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• 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.