Chemical Properties of 4-Isopropyl-2-methylphenol (CAS 1740-97-2)

InChI

InChI=1S/C10H14O/c1-7(2)9-4-5-10(11)8(3)6-9/h4-7,11H,1-3H3

InChI Key

WYXXLXHHWYNKJF-UHFFFAOYSA-N

Formula

C10H14O

SMILES

Cc1cc(C(C)C)ccc1O

Molecular Weight¹

150.22

CAS

1740-97-2

Other Names

• Phenol, 2-methyl-4-(1-methylethyl)-
• Isocarvacrol
• 4-isopropyl-m-cresol

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔcH°liquid	[-5653.00; -5640.00]	kJ/mol
ΔcH°liquid	-5653.00	kJ/mol	NIST
ΔcH°liquid	-5640.00 ± 10.00	kJ/mol	NIST
ΔfG°	-20.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-206.80	kJ/mol	NIST
ΔfH°liquid	-280.00	kJ/mol	NIST
ΔfusH°	17.57	kJ/mol	Joback Calculated Property
ΔvapH°	[56.00; 77.74]	kJ/mol
ΔvapH°	77.74	kJ/mol	NIST
ΔvapH°	73.20	kJ/mol	NIST
ΔvapH°	56.00 ± 3.00	kJ/mol	NIST
log10WS	-2.68		Crippen Calculated Property
logPoct/wat	2.824		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3439.94	kPa	Joback Calculated Property
I	[2205.00; 2221.00]
I	2221.00		NIST
I	2221.00		NIST
I	2221.00		NIST
I	2221.00		NIST
I	Outlier 2205.00		NIST
I	2219.00		NIST
I	2221.00		NIST
I	2219.00		NIST
Tboil	506.15 ± 4.00	K	NIST
Tc	764.51	K	Joback Calculated Property
Tfus	338.12	K	Joback Calculated Property
Vc	0.448	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[311.65; 382.61]	J/mol×K	[540.04; 764.51]
Cp,gas	311.65	J/mol×K	540.04	Joback Calculated Property
Cp,gas	325.50	J/mol×K	577.45	Joback Calculated Property
Cp,gas	338.45	J/mol×K	614.86	Joback Calculated Property
Cp,gas	350.56	J/mol×K	652.28	Joback Calculated Property
Cp,gas	361.90	J/mol×K	689.69	Joback Calculated Property
Cp,gas	372.56	J/mol×K	727.10	Joback Calculated Property
Cp,gas	382.61	J/mol×K	764.51	Joback Calculated Property
η	[0.0000535; 0.0035167]	Pa×s	[338.12; 540.04]
η	0.0035167	Pa×s	338.12	Joback Calculated Property
η	0.0012767	Pa×s	371.77	Joback Calculated Property
η	0.0005484	Pa×s	405.43	Joback Calculated Property
η	0.0002681	Pa×s	439.08	Joback Calculated Property
η	0.0001452	Pa×s	472.73	Joback Calculated Property
η	0.0000853	Pa×s	506.39	Joback Calculated Property
η	0.0000535	Pa×s	540.04	Joback Calculated Property
ΔvapH	59.80	kJ/mol	442.50	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 4-Isopropyl-2-methylphenol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.