Chemical Properties of (E)-Anethole (CAS 4180-23-8)

InChI

InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+

InChI Key

RUVINXPYWBROJD-ONEGZZNKSA-N

Formula

C10H12O

SMILES

C/C=C/c1ccc(OC)cc1

Molecular Weight¹

148.21

CAS

4180-23-8

Other Names

• (E)-1-(4-methoxyphenyl)propene
• (E)-1-Methoxy-4(1-propenyl)benzene
• (E)-1-p-methoxyphenylpropene
• (E)-4-propenylanisole
• (E)-Anethol
• (E)-Anetole
• Anethole (E)
• E-trans-Anethole
• anethole, trans-
• benzene, 1-methoxy-4-(1-propenyl)-, trans-
• trans-1-(4-methoxyphenyl)-1-propene
• trans-1-(p-methoxyphenyl)propene
• trans-1-methoxy-4-(1-propenyl)benzene
• trans-1-p-anisylpropene
• trans-4-(1-propenyl)anisole
• trans-Anethol
• trans-anethole
• trans-p-anethole
• trans-p-methoxy-.beta.-methylstyrene
• Anethole

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-21.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.70	kJ/mol	Joback Calculated Property
ΔvapH°	60.27	kJ/mol	Relay (1.0) Calculated Property
IE	7.70	eV	Relay (1.0) Calculated Property
log10WS	-3.60		Relay (1.0) Calculated Property
logPoct/wat	2.728		Crippen Calculated Property
McVol	129.570	ml/mol	McGowan Calculated Property
Pc	2995.87	kPa	Joback Calculated Property
Inp	[1247.00; 1307.00]
Inp	1265.20		NIST
Inp	1301.00		NIST
Inp	1264.00		NIST
Inp	1285.00		NIST
Inp	1285.00		NIST
Inp	1283.00		NIST
Inp	1284.00		NIST
Inp	1247.00		NIST
Inp	1254.00		NIST
Inp	1254.00		NIST
Inp	1283.00		NIST
Inp	1284.00		NIST
Inp	1284.00		NIST
Inp	1295.00		NIST
Inp	1275.00		NIST
Inp	1283.00		NIST
Inp	1263.00		NIST
Inp	1247.00		NIST
Inp	1285.00		NIST
Inp	1283.00		NIST
Inp	1256.00		NIST
Inp	1290.00		NIST
Inp	1249.00		NIST
Inp	1260.00		NIST
Inp	1285.00		NIST
Inp	1283.00		NIST
Inp	1283.00		NIST
Inp	1282.00		NIST
Inp	1258.00		NIST
Inp	1276.00		NIST
Inp	1283.00		NIST
Inp	1252.40		NIST
Inp	1284.00		NIST
Inp	1283.00		NIST
Inp	1283.00		NIST
Inp	1288.00		NIST
Inp	1265.00		NIST
Inp	1259.00		NIST
Inp	1260.00		NIST
Inp	1270.00		NIST
Inp	1280.00		NIST
Inp	Outlier 1307.00		NIST
Inp	1253.00		NIST
Inp	1276.00		NIST
Inp	1285.00		NIST
Inp	1285.00		NIST
Inp	1271.00		NIST
Inp	1283.00		NIST
Inp	1286.00		NIST
Inp	1267.00		NIST
Inp	1304.00		NIST
Inp	1262.00		NIST
Inp	1290.00		NIST
Inp	1285.00		NIST
Inp	1280.00		NIST
Inp	1264.00		NIST
Inp	1279.00		NIST
Inp	1285.00		NIST
Inp	1283.00		NIST
Inp	1285.00		NIST
Inp	1264.00		NIST
Inp	1283.00		NIST
Inp	1283.00		NIST
Inp	1294.00		NIST
Inp	1264.00		NIST
Inp	1273.00		NIST
Inp	1281.00		NIST
Inp	1281.00		NIST
Inp	1289.20		NIST
Inp	1300.00		NIST
Inp	1263.00		NIST
Inp	1259.00		NIST
Inp	1285.00		NIST
Inp	1283.00		NIST
Inp	1283.00		NIST
Inp	1283.00		NIST
Inp	1255.00		NIST
Inp	1257.00		NIST
Inp	1257.00		NIST
Inp	1259.00		NIST
Inp	1281.00		NIST
Inp	1295.00		NIST
Inp	1253.00		NIST
Inp	1283.00		NIST
Inp	1264.00		NIST
Inp	1283.00		NIST
Inp	1271.00		NIST
Inp	1287.00		NIST
Inp	1272.00		NIST
Inp	1283.00		NIST
Inp	1261.00		NIST
Inp	1266.00		NIST
Inp	1260.00		NIST
Inp	1267.00		NIST
Inp	1285.00		NIST
Inp	1251.00		NIST
Inp	1252.00		NIST
Inp	1252.00		NIST
Inp	1273.00		NIST
Inp	1264.00		NIST
Inp	1249.00		NIST
Inp	1270.00		NIST
Inp	1255.00		NIST
Inp	1270.00		NIST
Inp	1260.00		NIST
Inp	1258.00		NIST
Inp	1254.00		NIST
Inp	1288.00		NIST
Inp	1292.00		NIST
Inp	1301.00		NIST
Inp	1260.00		NIST
Inp	1290.00		NIST
Inp	1289.00		NIST
Inp	1270.00		NIST
Inp	1262.00		NIST
Inp	1274.00		NIST
Inp	1290.00		NIST
Inp	1292.00		NIST
Inp	1281.00		NIST
Inp	1288.00		NIST
Inp	1285.00		NIST
Inp	1303.00		NIST
Inp	1284.00		NIST
Inp	1283.00		NIST
Inp	1282.00		NIST
Inp	1282.00		NIST
Inp	1253.00		NIST
Inp	1303.00		NIST
Inp	1258.00		NIST
Inp	1253.00		NIST
Inp	1303.00		NIST
Inp	1254.00		NIST
Inp	1287.00		NIST
Inp	1268.00		NIST
Inp	1264.00		NIST
Inp	1270.00		NIST
Inp	1284.00		NIST
Inp	1284.00		NIST
Inp	1267.00		NIST
Inp	1280.00		NIST
Inp	1285.00		NIST
Inp	1264.00		NIST
Inp	1300.00		NIST
Inp	1283.00		NIST
Inp	1259.00		NIST
Inp	1260.00		NIST
Inp	1284.00		NIST
Inp	1247.00		NIST
Inp	1249.00		NIST
Inp	1282.00		NIST
Inp	1254.00		NIST
Inp	1290.00		NIST
Inp	1303.00		NIST
Inp	1253.00		NIST
Ip	[1798.00; 1847.00]
Ip	1845.00		NIST
Ip	1809.00		NIST
Ip	1819.00		NIST
Ip	1847.00		NIST
Ip	1830.00		NIST
Ip	1830.00		NIST
Ip	1812.00		NIST
Ip	1834.00		NIST
Ip	1835.00		NIST
Ip	1838.00		NIST
Ip	1837.00		NIST
Ip	1814.00		NIST
Ip	1838.00		NIST
Ip	1803.00		NIST
Ip	1828.00		NIST
Ip	1830.00		NIST
Ip	1834.00		NIST
Ip	1798.00		NIST
Ip	1802.00		NIST
Ip	1820.00		NIST
Ip	1818.00		NIST
Ip	1829.00		NIST
Ip	1820.00		NIST
Ip	1819.00		NIST
Ip	1805.00		NIST
Ip	1807.00		NIST
Ip	1807.00		NIST
Ip	1807.00		NIST
Ip	1809.00		NIST
Ip	1845.00		NIST
Ip	1809.00		NIST
Ip	1829.00		NIST
Ip	1810.00		NIST
Ip	1839.00		NIST
Ip	1808.00		NIST
Ip	1809.00		NIST
Ip	1845.00		NIST
Ip	1835.00		NIST
Ip	1842.00		NIST
Ip	1827.00		NIST
Ip	1843.00		NIST
Ip	1847.00		NIST
Ip	1803.00		NIST
Ip	1808.00		NIST
Ip	1824.00		NIST
Ip	1824.00		NIST
Ip	1827.00		NIST
Ip	1845.00		NIST
Ip	1845.00		NIST
Ip	1845.00		NIST
Ip	1809.00		NIST
Ip	1844.00		NIST
Ip	1822.00		NIST
Ip	1809.00		NIST
Ip	1830.00		NIST
Ip	1818.00		NIST
Ip	1807.00		NIST
Ip	1809.00		NIST
Ip	1845.00		NIST
Ip	1838.00		NIST
Tboil	[508.50; 508.85]	K
Tboil	508.70	K	NIST
Tboil	508.85 ± 0.70	K	NIST
Tboil	508.50 ± 1.00	K	NIST
Tc	705.71	K	Relay (1.0) Calculated Property
Tfus	294.80	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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
ΔvapH	78.30	kJ/mol	348.00	NIST
Pvap	[5.67e-03; 0.09]	kPa	[296.50; 333.40]
Pvap	5.67e-03	kPa	296.50	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	7.74e-03	kPa	300.40	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.01	kPa	304.40	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.02	kPa	308.40	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.02	kPa	312.30	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.02	kPa	313.20	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.03	kPa	316.40	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.03	kPa	318.50	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.04	kPa	321.40	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.05	kPa	323.40	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.06	kPa	326.40	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.07	kPa	328.40	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.08	kPa	331.50	Vaporization thermodynamics of compounds modeling lignin structural units
Pvap	0.09	kPa	333.40	Vaporization thermodynamics of compounds modeling lignin structural units

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.31; 401.59]	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			-1.44900e+01
Coefficient B			7.72240e-01
Coefficient C			-4.57160e-04
Coefficient D			1.01000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.31	J/mol×K	273.00	Calculated Property
Cp,gas	205.97	J/mol×K	353.78	Calculated Property
Cp,gas	243.05	J/mol×K	434.56	Calculated Property
Cp,gas	275.89	J/mol×K	515.33	Calculated Property
Cp,gas	304.79	J/mol×K	596.11	Calculated Property
Cp,gas	330.09	J/mol×K	676.89	Calculated Property
Cp,gas	352.10	J/mol×K	757.67	Calculated Property
Cp,gas	371.14	J/mol×K	838.44	Calculated Property
Cp,gas	387.53	J/mol×K	919.22	Calculated Property
Cp,gas	401.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009347; 0.0001537]	Pa×s	[294.80; 490.78]	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			-1.14954e+01
Coefficient B			1.33253e+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.			294.80
Temperature range, max.			490.78
η	0.0009347	Pa×s	294.80	Calculated Property
η	0.0006849	Pa×s	316.58	Calculated Property
η	0.0005224	Pa×s	338.35	Calculated Property
η	0.0004117	Pa×s	360.13	Calculated Property
η	0.0003334	Pa×s	381.90	Calculated Property
η	0.0002762	Pa×s	403.68	Calculated Property
η	0.0002333	Pa×s	425.45	Calculated Property
η	0.0002003	Pa×s	447.23	Calculated Property
η	0.0001744	Pa×s	469.00	Calculated Property
η	0.0001537	Pa×s	490.78	Calculated Property

Similar Compounds

Find more compounds similar to (E)-Anethole.

Mixtures

• Carbon dioxide + (E)-Anethole

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Fluid phase equilibria and mass transfer studies applied to supercritical fluid extraction of Illicium verum volatile oil
• Vaporization thermodynamics of compounds modeling lignin structural units
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.