Chemical Properties of 2-Methyl-3,5-diisopropylphenol

InChI

InChI=1S/C13H20O/c1-8(2)11-6-12(9(3)4)10(5)13(14)7-11/h6-9,14H,1-5H3

InChI Key

LNJNFIIJYVIYBA-UHFFFAOYSA-N

Formula

C13H20O

SMILES

Cc1c(O)cc(C(C)C)cc1C(C)C

Molecular Weight¹

192.30

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-7607.00	kJ/mol	NIST
ΔfH°gas	-259.00	kJ/mol	NIST
ΔfH°solid	-370.00	kJ/mol	NIST
ΔfusH°	21.43	kJ/mol	Joback Calculated Property
ΔsubH°	[109.20; 111.00]	kJ/mol
ΔsubH°	109.20	kJ/mol	NIST
ΔsubH°	111.00	kJ/mol	NIST
ΔvapH°	81.81	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	3.947		Crippen Calculated Property
McVol	176.140	ml/mol	McGowan Calculated Property
Tboil	534.02	K	Relay (1.0) Calculated Property
Tc	760.56	K	Relay (1.0) Calculated Property
Tfus	352.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.82; 538.95]	J/mol×K	[613.42; 831.75]
Cp,gas	454.82	J/mol×K	613.42	Joback Calculated Property
Cp,gas	470.93	J/mol×K	649.81	Joback Calculated Property
Cp,gas	486.12	J/mol×K	686.20	Joback Calculated Property
Cp,gas	500.44	J/mol×K	722.58	Joback Calculated Property
Cp,gas	513.97	J/mol×K	758.97	Joback Calculated Property
Cp,gas	526.78	J/mol×K	795.36	Joback Calculated Property
Cp,gas	538.95	J/mol×K	831.75	Joback Calculated Property
η	[0.0000243; 0.0019088]	Pa×s	[369.45; 613.42]
η	0.0019088	Pa×s	369.45	Joback Calculated Property
η	0.0006431	Pa×s	410.11	Joback Calculated Property
η	0.0002637	Pa×s	450.77	Joback Calculated Property
η	0.0001253	Pa×s	491.44	Joback Calculated Property
η	0.0000667	Pa×s	532.10	Joback Calculated Property
η	0.0000388	Pa×s	572.76	Joback Calculated Property
η	0.0000243	Pa×s	613.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-3,5-diisopropylphenol.

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

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.
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