Chemical Properties of 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

CC=Cc1ccc(OC)cc1

Molecular Weight¹

148.20

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)-Anethole
• (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

• 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 : 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	-24.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.70	kJ/mol	Joback Calculated Property
ΔvapH°	60.56	kJ/mol	Relay (1.0) Calculated Property
IE	7.72	eV	Relay (1.0) Calculated Property
log10WS	-3.31		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
I	[1798.00; 1847.00]
I	1845.00		NIST
I	1809.00		NIST
I	1819.00		NIST
I	1847.00		NIST
I	1830.00		NIST
I	1830.00		NIST
I	1812.00		NIST
I	1834.00		NIST
I	1835.00		NIST
I	1838.00		NIST
I	1837.00		NIST
I	1814.00		NIST
I	1838.00		NIST
I	1803.00		NIST
I	1828.00		NIST
I	1830.00		NIST
I	1834.00		NIST
I	1798.00		NIST
I	1802.00		NIST
I	1820.00		NIST
I	1818.00		NIST
I	1829.00		NIST
I	1820.00		NIST
I	1819.00		NIST
I	1805.00		NIST
I	1807.00		NIST
I	1807.00		NIST
I	1807.00		NIST
I	1809.00		NIST
I	1845.00		NIST
I	1809.00		NIST
I	1829.00		NIST
I	1810.00		NIST
I	1839.00		NIST
I	1808.00		NIST
I	1809.00		NIST
I	1845.00		NIST
I	1835.00		NIST
I	1842.00		NIST
I	1827.00		NIST
I	1843.00		NIST
I	1847.00		NIST
I	1803.00		NIST
I	1808.00		NIST
I	1824.00		NIST
I	1824.00		NIST
I	1827.00		NIST
I	1845.00		NIST
I	1845.00		NIST
I	1845.00		NIST
I	1809.00		NIST
I	1844.00		NIST
I	1822.00		NIST
I	1809.00		NIST
I	1830.00		NIST
I	1818.00		NIST
I	1807.00		NIST
I	1809.00		NIST
I	1845.00		NIST
I	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	701.94	K	Relay (1.0) Calculated Property
Tfus	305.82	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	[264.69; 337.02]	J/mol×K	[486.64; 701.11]
Cp,gas	264.69	J/mol×K	486.64	Joback Calculated Property
Cp,gas	278.56	J/mol×K	522.39	Joback Calculated Property
Cp,gas	291.67	J/mol×K	558.13	Joback Calculated Property
Cp,gas	304.04	J/mol×K	593.88	Joback Calculated Property
Cp,gas	315.71	J/mol×K	629.62	Joback Calculated Property
Cp,gas	326.69	J/mol×K	665.37	Joback Calculated Property
Cp,gas	337.02	J/mol×K	701.11	Joback Calculated Property
η	[0.0001573; 0.0017616]	Pa×s	[258.55; 486.64]
η	0.0017616	Pa×s	258.55	Joback Calculated Property
η	0.0009099	Pa×s	296.56	Joback Calculated Property
η	0.0005461	Pa×s	334.58	Joback Calculated Property
η	0.0003637	Pa×s	372.60	Joback Calculated Property
η	0.0002612	Pa×s	410.61	Joback Calculated Property
η	0.0001984	Pa×s	448.62	Joback Calculated Property
η	0.0001573	Pa×s	486.64	Joback Calculated Property
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

Similar Compounds

Find more compounds similar to Anethole.

Mixtures

• Carbon dioxide + Anethole

Sources

• 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

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