3-(2-Hydroxy-4-methyl-phenyl)-butan-2-one

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Physical Properties

Property	Value	Unit	Source
Δ_fH°_gas	-339.16	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	21.76	kJ/mol	Joback Calculated Property
Δ_vapH°	80.26	kJ/mol	Relay (1.0) Calculated Property
log₁₀WS	-1.51		Relay (1.0) Calculated Property
logP_oct/wat	2.393		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
I	[2605.00; 2605.00]
I	2605.00		NIST
I	2605.00		NIST
T_boil	549.56	K	Relay (1.0) Calculated Property
T_c	774.54	K	Relay (1.0) Calculated Property
T_fus	355.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[201.63; 477.24]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			-2.99600e+01
Coefficient B			1.04296e+00
Coefficient C			-7.79620e-04
Coefficient D			2.43860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	201.63	J/mol×K	273.00	Calculated Property
C_p,gas	252.24	J/mol×K	353.78	Calculated Property
C_p,gas	296.05	J/mol×K	434.56	Calculated Property
C_p,gas	333.84	J/mol×K	515.33	Calculated Property
C_p,gas	366.38	J/mol×K	596.11	Calculated Property
C_p,gas	394.43	J/mol×K	676.89	Calculated Property
C_p,gas	418.77	J/mol×K	757.67	Calculated Property
C_p,gas	440.17	J/mol×K	838.44	Calculated Property
C_p,gas	459.41	J/mol×K	919.22	Calculated Property
C_p,gas	477.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012402; 0.0000432]	Pa×s	[399.32; 591.48]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.70229e+01
Coefficient B			4.12515e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			399.32
Temperature range, max.			591.48

η	0.0012402	Pa×s	399.32	Calculated Property
η	0.0007342	Pa×s	420.67	Calculated Property
η	0.0004572	Pa×s	442.02	Calculated Property
η	0.0002974	Pa×s	463.37	Calculated Property
η	0.0002009	Pa×s	484.72	Calculated Property
η	0.0001403	Pa×s	506.07	Calculated Property
η	0.0001009	Pa×s	527.42	Calculated Property
η	0.0000744	Pa×s	548.78	Calculated Property
η	0.0000562	Pa×s	570.13	Calculated Property
η	0.0000432	Pa×s	591.48	Calculated Property

Similar Compounds

2-(2-Hydroxy-4-methyl-phenyl)-pentan-3-one.

4-Hexen-3-one, 5-methyl-2-(3-hydroxy-4-methylphenyl).

6-(3-Hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one.

[4-(5-Hydroxy-2,4-dimethoxyphenyl)-3-methoxycarbonylmethyl-5-oxocyclohexyl]acetic acid, methyl ester.

[4-(5-Hydroxy-2,4-dimethoxyphenyl)-3-methoxycarbonylmethyl-5-oxocyclohexyl-1)-acetic acid, methyl ester.

Sesquichamaenol (1,10-seco-1-hydroxycalamenen-10-one).

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

Sources

Cheméo Relay (1.0)
Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
Crippen Method
Crippen Method
Joback Method
McGowan Method
NIST Webbook

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

Physical Properties

Correlations

Similar Compounds

Sources