Chemical Properties of Creosol (CAS 93-51-6)

InChI

InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3

InChI Key

PETRWTHZSKVLRE-UHFFFAOYSA-N

Formula

C8H10O2

SMILES

COc1cc(C)ccc1O

Molecular Weight¹

138.16

CAS

93-51-6

Other Names

• 2-Methoxy-4-cresol
• 2-Methoxy-4-methylphenol
• 2-Methoxy-4-methylphenol (4-methylguaiacol)
• 2-Methoxy-p-cresol
• 2-methoxy-4-methylphenol (creosol)
• 3-Methoxy-4-hydroxytoluene
• 4-Hydroxy-3-methoxy-1-methylbenzene
• 4-Hydroxy-3-methoxytoluene
• 4-Methyl-2-methoxyphenol
• 4-Methyl-2-methoxyphenol (4-methylguaiacol)
• 4-Methylguaiacol
• Homocatechol monomethyl ether
• Homoguaiacol
• NSC 4969
• Phenol, 2-methoxy-4-methyl-
• Phenol, 4-methyl-2-methoxy
• Valspice
• p-Creosol
• p-Cresol, 2-methoxy-
• p-Methylguaiacol
• p-methylguaicol

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

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4214.40 ± 2.10	kJ/mol	NIST
ΔfH°gas	-291.90	kJ/mol	NIST
ΔfH°liquid	-362.80 ± 2.20	kJ/mol	NIST
ΔfusH°	17.10	kJ/mol	Joback Calculated Property
ΔvapH°	70.90	kJ/mol	NIST
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-1.51		Relay (1.0) Calculated Property
logPoct/wat	1.709		Crippen Calculated Property
McVol	111.560	ml/mol	McGowan Calculated Property
Pc	4227.54	kPa	Joback Calculated Property
Inp	[1155.00; 1210.00]
Inp	1162.00		NIST
Inp	1187.00		NIST
Inp	1185.00		NIST
Inp	1155.00		NIST
Inp	1192.00		NIST
Inp	1192.00		NIST
Inp	1192.60		NIST
Inp	1195.50		NIST
Inp	1181.00		NIST
Inp	1157.00		NIST
Inp	1193.00		NIST
Inp	1198.00		NIST
Inp	1199.00		NIST
Inp	1210.00		NIST
Inp	1195.00		NIST
Inp	1162.00		NIST
Inp	1164.00		NIST
Inp	1159.00		NIST
Inp	1161.00		NIST
Inp	1161.00		NIST
Inp	1164.00		NIST
Inp	1200.00		NIST
Inp	1160.00		NIST
Inp	1158.00		NIST
Inp	1169.00		NIST
Inp	1171.00		NIST
Inp	1190.00		NIST
Inp	1194.00		NIST
Inp	1188.00		NIST
Inp	1203.00		NIST
Inp	1197.00		NIST
Inp	1191.00		NIST
Inp	1193.00		NIST
Inp	1192.00		NIST
Inp	1160.00		NIST
Inp	1166.00		NIST
Inp	1191.00		NIST
Inp	1191.00		NIST
Inp	1198.00		NIST
Inp	1192.00		NIST
Inp	1190.00		NIST
Inp	1207.00		NIST
Inp	1192.00		NIST
Inp	1157.00		NIST
Inp	1190.00		NIST
Inp	1191.00		NIST
Inp	1207.00		NIST
Inp	1162.00		NIST
I	[1915.00; 1999.00]
I	1972.00		NIST
I	1938.00		NIST
I	1960.00		NIST
I	1945.00		NIST
I	1938.00		NIST
I	1934.00		NIST
I	1949.00		NIST
I	1957.00		NIST
I	Outlier 1996.00		NIST
I	1956.00		NIST
I	1969.00		NIST
I	1980.00		NIST
I	1967.00		NIST
I	1959.00		NIST
I	1956.00		NIST
I	1970.00		NIST
I	1968.00		NIST
I	Outlier 1915.00		NIST
I	1958.00		NIST
I	1956.00		NIST
I	1957.00		NIST
I	1956.00		NIST
I	1965.00		NIST
I	1982.00		NIST
I	1928.00		NIST
I	1960.00		NIST
I	1936.00		NIST
I	1938.00		NIST
I	1937.00		NIST
I	1948.00		NIST
I	1946.00		NIST
I	1952.00		NIST
I	Outlier 1999.00		NIST
I	1981.00		NIST
I	1956.00		NIST
I	1972.00		NIST
Tboil	494.20	K	NIST
Tc	718.80	K	Relay (1.0) Calculated Property
Tfus	313.14	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	[246.58; 304.26]	J/mol×K	[517.34; 742.14]
Cp,gas	246.58	J/mol×K	517.34	Joback Calculated Property
Cp,gas	257.77	J/mol×K	554.81	Joback Calculated Property
Cp,gas	268.27	J/mol×K	592.27	Joback Calculated Property
Cp,gas	278.11	J/mol×K	629.74	Joback Calculated Property
Cp,gas	287.36	J/mol×K	667.21	Joback Calculated Property
Cp,gas	296.06	J/mol×K	704.68	Joback Calculated Property
Cp,gas	304.26	J/mol×K	742.14	Joback Calculated Property
η	[0.0000634; 0.0017487]	Pa×s	[352.81; 517.34]
η	0.0017487	Pa×s	352.81	Joback Calculated Property
η	0.0008241	Pa×s	380.23	Joback Calculated Property
η	0.0004297	Pa×s	407.65	Joback Calculated Property
η	0.0002432	Pa×s	435.08	Joback Calculated Property
η	0.0001473	Pa×s	462.50	Joback Calculated Property
η	0.0000943	Pa×s	489.92	Joback Calculated Property
η	0.0000634	Pa×s	517.34	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[384.00; 386.70]	K	[2.00; 2.90]
Tboilr	384.00 ± 1.00	K	2.00	NIST
Tboilr	386.70	K	2.90	NIST

Similar Compounds

Find more compounds similar to Creosol.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.