Chemical Properties of Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)- (CAS 1076-56-8)

InChI

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

InChI Key

LSQXNMXDFRRDSJ-UHFFFAOYSA-N

Formula

C11H16O

SMILES

COc1cc(C)ccc1C(C)C

Molecular Weight¹

164.24

CAS

1076-56-8

Other Names

• Anisole, 2-isopropyl-5-methyl-
• Methyl thymyl ether
• Thymol methyl ether
• Thymyl methyl ether
• 3-Methoxy-p-cymene
• 4-Isopropyl-3-methoxytoluene
• O-Methylthymol
• Methyl thymol ether
• 1-Isopropyl-2-methoxy-4-methylbenzene
• Methylthymol
• Thymol Me ether
• Thymol methyl
• 2-Isopropyl-5-methylanisole
• Thymyl methyl oxide
• Thymol methyl ether (=methyl thymol)
• Methyl thymyl oxide

• 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).
• I_np : Non-polar retention indices.
• I : 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
ΔfG°	27.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-194.28	kJ/mol	Joback Calculated Property
ΔfusH°	15.17	kJ/mol	Joback Calculated Property
ΔvapH°	45.70	kJ/mol	Joback Calculated Property
log10WS	-3.25		Crippen 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	[1196.00; 1265.00]
Inp	1219.00		NIST
Inp	1244.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1236.00		NIST
Inp	1233.00		NIST
Inp	1217.00		NIST
Inp	1214.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1237.00		NIST
Inp	1215.00		NIST
Inp	1215.00		NIST
Inp	1235.00		NIST
Inp	1230.00		NIST
Inp	1235.00		NIST
Inp	1233.00		NIST
Inp	1236.00		NIST
Inp	1215.00		NIST
Inp	1235.00		NIST
Inp	1214.00		NIST
Inp	1232.00		NIST
Inp	1230.00		NIST
Inp	1226.00		NIST
Inp	1217.00		NIST
Inp	1215.00		NIST
Inp	1215.00		NIST
Inp	1229.00		NIST
Inp	1230.00		NIST
Inp	1235.00		NIST
Inp	1205.00		NIST
Inp	1232.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1231.00		NIST
Inp	1234.00		NIST
Inp	1229.00		NIST
Inp	1211.00		NIST
Inp	1214.00		NIST
Inp	1236.00		NIST
Inp	1213.00		NIST
Inp	1237.00		NIST
Inp	1216.00		NIST
Inp	1236.00		NIST
Inp	1219.00		NIST
Inp	1237.00		NIST
Inp	1234.00		NIST
Inp	1234.00		NIST
Inp	1237.00		NIST
Inp	1214.00		NIST
Inp	1235.00		NIST
Inp	1233.00		NIST
Inp	1235.00		NIST
Inp	1215.00		NIST
Inp	1214.00		NIST
Inp	1212.00		NIST
Inp	1208.00		NIST
Inp	1235.00		NIST
Inp	1230.00		NIST
Inp	1234.00		NIST
Inp	1233.00		NIST
Inp	1244.00		NIST
Inp	1228.00		NIST
Inp	1237.00		NIST
Inp	1237.00		NIST
Inp	1238.00		NIST
Inp	1225.00		NIST
Inp	1239.00		NIST
Inp	1237.00		NIST
Inp	1232.00		NIST
Inp	1231.00		NIST
Inp	Outlier 1255.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1237.00		NIST
Inp	1231.00		NIST
Inp	1237.00		NIST
Inp	1238.00		NIST
Inp	1239.00		NIST
Inp	1215.00		NIST
Inp	1232.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1214.00		NIST
Inp	1214.00		NIST
Inp	1231.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1233.00		NIST
Inp	1233.00		NIST
Inp	1237.00		NIST
Inp	1237.00		NIST
Inp	1242.00		NIST
Inp	1242.00		NIST
Inp	1240.00		NIST
Inp	Outlier 1199.00		NIST
Inp	1238.00		NIST
Inp	1228.00		NIST
Inp	1231.00		NIST
Inp	1235.00		NIST
Inp	1234.00		NIST
Inp	1235.00		NIST
Inp	1239.00		NIST
Inp	Outlier 1198.00		NIST
Inp	Outlier 1199.00		NIST
Inp	1213.00		NIST
Inp	1228.00		NIST
Inp	1236.00		NIST
Inp	1233.00		NIST
Inp	1238.00		NIST
Inp	1230.00		NIST
Inp	1210.00		NIST
Inp	1237.00		NIST
Inp	1217.00		NIST
Inp	1217.00		NIST
Inp	1237.00		NIST
Inp	1232.00		NIST
Inp	1235.00		NIST
Inp	1240.00		NIST
Inp	1237.00		NIST
Inp	Outlier 1200.00		NIST
Inp	Outlier 1199.00		NIST
Inp	1213.00		NIST
Inp	1232.00		NIST
Inp	1214.00		NIST
Inp	1235.00		NIST
Inp	1245.00		NIST
Inp	1234.00		NIST
Inp	1207.00		NIST
Inp	1215.00		NIST
Inp	1235.00		NIST
Inp	1220.00		NIST
Inp	1244.00		NIST
Inp	1227.00		NIST
Inp	1217.00		NIST
Inp	1207.00		NIST
Inp	1207.00		NIST
Inp	1207.00		NIST
Inp	Outlier 1196.00		NIST
Inp	Outlier 1196.00		NIST
Inp	1208.00		NIST
Inp	1235.00		NIST
Inp	1231.00		NIST
Inp	1236.00		NIST
Inp	1236.00		NIST
Inp	1241.00		NIST
Inp	1227.00		NIST
Inp	1235.00		NIST
Inp	1208.00		NIST
Inp	1235.00		NIST
Inp	1228.00		NIST
Inp	1225.00		NIST
Inp	1234.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	Outlier 1265.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1229.00		NIST
Inp	1208.00		NIST
Inp	1235.00		NIST
Inp	1208.00		NIST
Inp	1235.00		NIST
Inp	Outlier 1265.00		NIST
Inp	1215.00		NIST
Inp	Outlier 1265.00		NIST
Inp	1235.00		NIST
Inp	1231.00		NIST
Inp	1225.00		NIST
Inp	1208.00		NIST
Inp	1235.00		NIST
Inp	1208.00		NIST
I	[1555.00; 1622.00]
I	1611.00		NIST
I	1586.00		NIST
I	1586.00		NIST
I	1593.00		NIST
I	1591.00		NIST
I	1583.00		NIST
I	1563.00		NIST
I	1577.00		NIST
I	1586.00		NIST
I	Outlier 1555.00		NIST
I	1563.00		NIST
I	1595.00		NIST
I	1575.00		NIST
I	1587.00		NIST
I	1563.00		NIST
I	1563.00		NIST
I	1589.00		NIST
I	1587.00		NIST
I	1563.00		NIST
I	1581.00		NIST
I	1589.00		NIST
I	1597.00		NIST
I	1597.00		NIST
I	1600.00		NIST
I	1599.00		NIST
I	1581.00		NIST
I	1595.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1563.00		NIST
I	1579.00		NIST
I	1563.00		NIST
I	Outlier 1622.00		NIST
I	1604.00		NIST
I	1594.00		NIST
I	1589.00		NIST
I	1565.00		NIST
I	1607.00		NIST
I	1574.00		NIST
I	1593.00		NIST
I	1604.00		NIST
I	1604.00		NIST
I	1604.00		NIST
I	1604.00		NIST
I	1604.00		NIST
I	1598.00		NIST
I	1597.00		NIST
I	1604.00		NIST
I	1598.00		NIST
I	1598.00		NIST
I	1604.00		NIST
I	1607.00		NIST
I	1604.00		NIST
I	1598.00		NIST
I	1611.00		NIST
Tboil	509.70	K	Joback Calculated Property
Tc	716.96	K	Joback Calculated Property
Tfus	272.42	K	Joback Calculated Property
Vc	0.555	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.70; 408.15]	J/mol×K	[509.70; 716.96]
Cp,gas	326.70	J/mol×K	509.70	Joback Calculated Property
Cp,gas	342.03	J/mol×K	544.24	Joback Calculated Property
Cp,gas	356.63	J/mol×K	578.79	Joback Calculated Property
Cp,gas	370.54	J/mol×K	613.33	Joback Calculated Property
Cp,gas	383.76	J/mol×K	647.87	Joback Calculated Property
Cp,gas	396.29	J/mol×K	682.41	Joback Calculated Property
Cp,gas	408.15	J/mol×K	716.96	Joback Calculated Property
η	[0.0001623; 0.0018910]	Pa×s	[272.42; 509.70]
η	0.0018910	Pa×s	272.42	Joback Calculated Property
η	0.0009689	Pa×s	311.97	Joback Calculated Property
η	0.0005771	Pa×s	351.51	Joback Calculated Property
η	0.0003817	Pa×s	391.06	Joback Calculated Property
η	0.0002723	Pa×s	430.61	Joback Calculated Property
η	0.0002057	Pa×s	470.15	Joback Calculated Property
η	0.0001623	Pa×s	509.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-.

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.