Chemical Properties of Carvacrol methyl ether (CAS 6379-73-3)

InChI

InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3

InChI Key

YVLHTQPPMZOCOW-UHFFFAOYSA-N

Formula

C11H16O

SMILES

COc1cc(C(C)C)ccc1C

Molecular Weight¹

164.24

CAS

6379-73-3

Other Names

• Methyl carvacrol
• Carvacryl methyl oxide
• Carvacryl methyl ether
• Carvacrol Me ether
• methyl-ether Carvacrol
• Carvacrol methyl
• 5-Isopropyl-2-methylanisole

• ω : Acentric Factor.
• 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_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_p : Polar retention indices.
• 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	0.4620		Relay (1.0) Calculated Property
ΔfH°gas	-185.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.17	kJ/mol	Joback Calculated Property
ΔvapH°	62.60	kJ/mol	Relay (1.0) Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-3.71		Relay (1.0) Calculated Property
logPoct/wat	3.127		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	2545.61	kPa	Joback Calculated Property
Inp	[1205.00; 1287.00]
Inp	1245.00		NIST
Inp	1243.00		NIST
Inp	1244.00		NIST
Inp	1244.00		NIST
Inp	1225.00		NIST
Inp	1244.00		NIST
Inp	1244.00		NIST
Inp	1231.00		NIST
Inp	1244.00		NIST
Inp	1224.00		NIST
Inp	1224.00		NIST
Inp	1241.00		NIST
Inp	1225.00		NIST
Inp	1245.00		NIST
Inp	1224.00		NIST
Inp	1223.00		NIST
Inp	1245.00		NIST
Inp	1239.00		NIST
Inp	1224.00		NIST
Inp	1233.00		NIST
Inp	1244.00		NIST
Inp	1241.00		NIST
Inp	1230.00		NIST
Inp	1228.00		NIST
Inp	1246.00		NIST
Inp	1246.00		NIST
Inp	1246.00		NIST
Inp	1220.00		NIST
Inp	1243.00		NIST
Inp	1246.20		NIST
Inp	1245.00		NIST
Inp	1244.00		NIST
Inp	1248.00		NIST
Inp	1245.00		NIST
Inp	1247.00		NIST
Inp	1248.00		NIST
Inp	1247.00		NIST
Inp	1238.00		NIST
Inp	1241.00		NIST
Inp	1241.00		NIST
Inp	1244.00		NIST
Inp	1248.00		NIST
Inp	1247.00		NIST
Inp	1243.00		NIST
Inp	1244.00		NIST
Inp	1247.00		NIST
Inp	1239.00		NIST
Inp	1239.00		NIST
Inp	1216.00		NIST
Inp	1244.00		NIST
Inp	1244.00		NIST
Inp	1241.00		NIST
Inp	1246.00		NIST
Inp	Outlier 1205.00		NIST
Inp	1254.00		NIST
Inp	1239.00		NIST
Inp	1246.00		NIST
Inp	1243.00		NIST
Inp	1245.00		NIST
Inp	1245.00		NIST
Inp	1225.00		NIST
Inp	Outlier 1205.00		NIST
Inp	1222.00		NIST
Inp	1243.00		NIST
Inp	1248.00		NIST
Inp	1243.00		NIST
Inp	1221.00		NIST
Inp	1245.00		NIST
Inp	1228.00		NIST
Inp	1228.00		NIST
Inp	1218.00		NIST
Inp	1223.00		NIST
Inp	1217.00		NIST
Inp	Outlier 1205.00		NIST
Inp	1222.00		NIST
Inp	1241.00		NIST
Inp	1244.00		NIST
Inp	1244.00		NIST
Inp	1225.00		NIST
Inp	1223.00		NIST
Inp	1211.00		NIST
Inp	1211.00		NIST
Inp	1211.00		NIST
Inp	1224.00		NIST
Inp	1226.00		NIST
Inp	1230.00		NIST
Inp	1248.00		NIST
Inp	1224.00		NIST
Inp	1239.00		NIST
Inp	1243.00		NIST
Inp	1232.00		NIST
Inp	1237.00		NIST
Inp	1230.00		NIST
Inp	Outlier 1272.00		NIST
Inp	Outlier 1272.00		NIST
Inp	1245.00		NIST
Inp	1224.00		NIST
Inp	1224.00		NIST
Inp	1244.00		NIST
Inp	1224.00		NIST
Inp	Outlier 1272.00		NIST
Inp	1230.00		NIST
Inp	Outlier 1287.00		NIST
Inp	1224.00		NIST
Inp	1231.00		NIST
Inp	1225.00		NIST
Inp	1239.00		NIST
Inp	1230.00		NIST
Inp	1220.00		NIST
Inp	1244.00		NIST
Inp	1248.00		NIST
Inp	1238.00		NIST
Inp	1247.00		NIST
Inp	1246.00		NIST
Inp	1243.00		NIST
Inp	1222.00		NIST
Inp	1245.00		NIST
Inp	1217.00		NIST
Inp	1211.00		NIST
Ip	[1560.00; 1614.00]
Ip	1614.00		NIST
Ip	1595.00		NIST
Ip	1614.00		NIST
Ip	1586.00		NIST
Ip	1603.00		NIST
Ip	1584.00		NIST
Ip	1594.00		NIST
Ip	1597.00		NIST
Ip	1606.00		NIST
Ip	1601.00		NIST
Ip	1601.00		NIST
Ip	1594.00		NIST
Ip	1576.00		NIST
Ip	1576.00		NIST
Ip	1576.00		NIST
Ip	1576.00		NIST
Ip	1585.00		NIST
Ip	1609.00		NIST
Ip	1586.00		NIST
Ip	1614.00		NIST
Ip	1576.00		NIST
Ip	1576.00		NIST
Ip	1583.00		NIST
Ip	1604.00		NIST
Ip	1614.00		NIST
Ip	1614.00		NIST
Ip	1601.00		NIST
Ip	1614.00		NIST
Ip	1614.00		NIST
Ip	1614.00		NIST
Ip	1614.00		NIST
Ip	1614.00		NIST
Ip	1595.00		NIST
Ip	1614.00		NIST
Ip	Outlier 1560.00		NIST
Ip	1614.00		NIST
Ip	1614.00		NIST
Ip	1614.00		NIST
Ip	1614.00		NIST
Ip	1614.00		NIST
Ip	1595.00		NIST
Ip	1614.00		NIST
Ip	1586.00		NIST
Tboil	489.44	K	Relay (1.0) Calculated Property
Tc	699.87	K	Relay (1.0) Calculated Property
Tfus	260.32	K	Relay (1.0) Calculated Property
Vc	0.541	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.77; 481.26]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.14000e+01
Coefficient B			7.93680e-01
Coefficient C			-3.63920e-04
Coefficient D			4.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.77	J/mol×K	273.00	Calculated Property
Cp,gas	248.41	J/mol×K	353.78	Calculated Property
Cp,gas	290.87	J/mol×K	434.56	Calculated Property
Cp,gas	329.25	J/mol×K	515.33	Calculated Property
Cp,gas	363.70	J/mol×K	596.11	Calculated Property
Cp,gas	394.33	J/mol×K	676.89	Calculated Property
Cp,gas	421.27	J/mol×K	757.67	Calculated Property
Cp,gas	444.66	J/mol×K	838.44	Calculated Property
Cp,gas	464.61	J/mol×K	919.22	Calculated Property
Cp,gas	481.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018910; 0.0001694]	Pa×s	[272.42; 502.07]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15456e+01
Coefficient B			1.43701e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			272.42
Temperature range, max.			502.07
η	0.0018910	Pa×s	272.42	Calculated Property
η	0.0012036	Pa×s	297.94	Calculated Property
η	0.0008227	Pa×s	323.45	Calculated Property
η	0.0005945	Pa×s	348.97	Calculated Property
η	0.0004491	Pa×s	374.49	Calculated Property
η	0.0003516	Pa×s	400.00	Calculated Property
η	0.0002834	Pa×s	425.52	Calculated Property
η	0.0002341	Pa×s	451.03	Calculated Property
η	0.0001974	Pa×s	476.55	Calculated Property
η	0.0001694	Pa×s	502.07	Calculated Property

Similar Compounds

Find more compounds similar to Carvacrol methyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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