Chemical Properties of 2,3,4,6-TETRAMETHYLPHENOL (CAS 3238-38-8)

InChI

InChI=1S/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4H3

InChI Key

WEJVHFVGNQBRGH-UHFFFAOYSA-N

Formula

C10H14O

SMILES

Cc1cc(C)c(O)c(C)c1C

Molecular Weight¹

150.22

CAS

3238-38-8

• 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).
• P_vap : Vapor pressure (kPa).
• 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	0.5459		Relay (1.0) Calculated Property
ΔfG°	-37.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-203.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.31	kJ/mol	Joback Calculated Property
ΔvapH°	78.26	kJ/mol	Relay (1.0) Calculated Property
IE	7.72	eV	Relay (1.0) Calculated Property
log10WS	-2.29		Relay (1.0) Calculated Property
logPoct/wat	2.626		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3291.59	kPa	Joback Calculated Property
Tboil	[523.15; 523.15]	K
Tboil	523.15 ± 4.00	K	NIST
Tboil	523.15 ± 4.00	K	NIST
Tc	746.65	K	Relay (1.0) Calculated Property
Tfus	353.15 ± 2.00	K	NIST
Vc	0.479	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.51; 377.60]	J/mol×K	[550.44; 772.15]
Cp,gas	310.51	J/mol×K	550.44	Joback Calculated Property
Cp,gas	323.33	J/mol×K	587.39	Joback Calculated Property
Cp,gas	335.42	J/mol×K	624.34	Joback Calculated Property
Cp,gas	346.83	J/mol×K	661.30	Joback Calculated Property
Cp,gas	357.63	J/mol×K	698.25	Joback Calculated Property
Cp,gas	367.86	J/mol×K	735.20	Joback Calculated Property
Cp,gas	377.60	J/mol×K	772.15	Joback Calculated Property
η	[0.0000501; 0.0010235]	Pa×s	[378.16; 550.44]
η	0.0010235	Pa×s	378.16	Joback Calculated Property
η	0.0005185	Pa×s	406.87	Joback Calculated Property
η	0.0002873	Pa×s	435.59	Joback Calculated Property
η	0.0001712	Pa×s	464.30	Joback Calculated Property
η	0.0001084	Pa×s	493.01	Joback Calculated Property
η	0.0000722	Pa×s	521.73	Joback Calculated Property
η	0.0000501	Pa×s	550.44	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[398.52; 552.97]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54577e+01
Coefficient B			-4.73206e+03
Coefficient C			-8.65860e+01
Temperature range, min.			398.52
Temperature range, max.			552.97
Pvap	1.33	kPa	398.52	Calculated Property
Pvap	2.94	kPa	415.68	Calculated Property
Pvap	6.00	kPa	432.84	Calculated Property
Pvap	11.43	kPa	450.00	Calculated Property
Pvap	20.57	kPa	467.16	Calculated Property
Pvap	35.17	kPa	484.33	Calculated Property
Pvap	57.53	kPa	501.49	Calculated Property
Pvap	90.50	kPa	518.65	Calculated Property
Pvap	137.52	kPa	535.81	Calculated Property
Pvap	202.63	kPa	552.97	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,6-TETRAMETHYLPHENOL.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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