Chemical Properties of Phenol, 2,5-bis(1,1-dimethylethyl)- (CAS 5875-45-6)

InChI

InChI=1S/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3

InChI Key

KDBZVULQVCUNNA-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CC(C)(C)c1ccc(C(C)(C)C)c(O)c1

Molecular Weight¹

206.32

CAS

5875-45-6

Other Names

• Phenol, 2,5-di-tert-butyl-
• 2,5-Di-tert-butylphenol
• 2,5-bis(1,1-Dimethylethyl)phenol

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-8276.00	kJ/mol	NIST
ΔfH°gas	-260.00	kJ/mol	NIST
ΔfH°solid	-380.00	kJ/mol	NIST
ΔfusH°	16.62	kJ/mol	Joback Calculated Property
ΔsubH°	[116.70; 120.00]	kJ/mol
ΔsubH°	116.70	kJ/mol	NIST
ΔsubH°	120.00	kJ/mol	NIST
ΔvapH°	79.43	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-4.44		Relay (1.0) Calculated Property
logPoct/wat	3.987		Crippen Calculated Property
McVol	190.230	ml/mol	McGowan Calculated Property
Pc	2358.78	kPa	Joback Calculated Property
Inp	[1514.00; 1517.00]
Inp	1517.00		NIST
Inp	1514.00		NIST
Tboil	534.83	K	Relay (1.0) Calculated Property
Tc	771.02	K	Relay (1.0) Calculated Property
Tfus	341.11	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[511.15; 601.25]	J/mol×K	[625.54; 855.78]
Cp,gas	511.15	J/mol×K	625.54	Joback Calculated Property
Cp,gas	528.92	J/mol×K	663.91	Joback Calculated Property
Cp,gas	545.39	J/mol×K	702.29	Joback Calculated Property
Cp,gas	560.71	J/mol×K	740.66	Joback Calculated Property
Cp,gas	575.03	J/mol×K	779.03	Joback Calculated Property
Cp,gas	588.49	J/mol×K	817.41	Joback Calculated Property
Cp,gas	601.25	J/mol×K	855.78	Joback Calculated Property
η	[0.0000185; 0.0010791]	Pa×s	[403.04; 625.54]
η	0.0010791	Pa×s	403.04	Joback Calculated Property
η	0.0004121	Pa×s	440.12	Joback Calculated Property
η	0.0001828	Pa×s	477.21	Joback Calculated Property
η	0.0000911	Pa×s	514.29	Joback Calculated Property
η	0.0000499	Pa×s	551.37	Joback Calculated Property
η	0.0000295	Pa×s	588.46	Joback Calculated Property
η	0.0000185	Pa×s	625.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,5-bis(1,1-dimethylethyl)-.

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.
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