Chemical Properties of Phenol, 2,3,4-trimethyl- (CAS 526-85-2)

InChI

InChI=1S/C9H12O/c1-6-4-5-9(10)8(3)7(6)2/h4-5,10H,1-3H3

InChI Key

XRUGBBIQLIVCSI-UHFFFAOYSA-N

Formula

C9H12O

SMILES

Cc1ccc(O)c(C)c1C

Molecular Weight¹

136.19

CAS

526-85-2

Other Names

• 2,3,4-trimethylphenol

• 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).
• 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
ΔfG°	-36.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-192.81	kJ/mol	Joback Calculated Property
ΔfusH°	18.11	kJ/mol	Joback Calculated Property
ΔvapH°	52.24	kJ/mol	Joback Calculated Property
log10WS	-2.45		Crippen Calculated Property
logPoct/wat	2.317		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Pc	3754.57	kPa	Joback Calculated Property
Tboil	[509.00; 510.00]	K
Tboil	509.00 ± 3.00	K	NIST
Tboil	509.00 ± 3.00	K	NIST
Tboil	510.00 ± 3.00	K	NIST
Tc	747.15	K	Joback Calculated Property
Tfus	[354.00; 354.20]	K
Tfus	354.20 ± 3.00	K	NIST
Tfus	354.00 ± 3.00	K	NIST
Tfus	354.00 ± 2.00	K	NIST
Vc	0.398	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[266.77; 329.50]	J/mol×K	[522.58; 747.15]
Cp,gas	266.77	J/mol×K	522.58	Joback Calculated Property
Cp,gas	278.94	J/mol×K	560.01	Joback Calculated Property
Cp,gas	290.34	J/mol×K	597.44	Joback Calculated Property
Cp,gas	301.03	J/mol×K	634.86	Joback Calculated Property
Cp,gas	311.07	J/mol×K	672.29	Joback Calculated Property
Cp,gas	320.54	J/mol×K	709.72	Joback Calculated Property
Cp,gas	329.50	J/mol×K	747.15	Joback Calculated Property
η	[0.0000662; 0.0017439]	Pa×s	[354.37; 522.58]
η	0.0017439	Pa×s	354.37	Joback Calculated Property
η	0.0008278	Pa×s	382.40	Joback Calculated Property
η	0.0004351	Pa×s	410.44	Joback Calculated Property
η	0.0002482	Pa×s	438.47	Joback Calculated Property
η	0.0001515	Pa×s	466.51	Joback Calculated Property
η	0.0000978	Pa×s	494.54	Joback Calculated Property
η	0.0000662	Pa×s	522.58	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.20; 202.64]	kPa	[354.15; 539.36]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54478e+01
Coefficient B			-4.62610e+03
Coefficient C			-8.29720e+01
Temperature range, min.			354.15
Temperature range, max.			539.36
Pvap	0.20	kPa	354.15	Calculated Property
Pvap	0.66	kPa	374.73	Calculated Property
Pvap	1.89	kPa	395.31	Calculated Property
Pvap	4.72	kPa	415.89	Calculated Property
Pvap	10.60	kPa	436.47	Calculated Property
Pvap	21.78	kPa	457.04	Calculated Property
Pvap	41.50	kPa	477.62	Calculated Property
Pvap	74.20	kPa	498.20	Calculated Property
Pvap	125.56	kPa	518.78	Calculated Property
Pvap	202.64	kPa	539.36	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,3,4-trimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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