Chemical Properties of ANISYL ALCOHOL

InChI

InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3

InChI Key

MSHFRERJPWKJFX-UHFFFAOYSA-N

Formula

C8H10O2

SMILES

COc1ccc(CO)cc1

Molecular Weight¹

138.17

Other Names

• 4-(Hydroxymethyl)anisole
• 4-Anisylalcohol
• 4-Methoxybenzenemethanol
• 4-Methoxybenzyl alcohol
• Anis alcohol
• Anise alcohol
• Anisic alcohol
• Benzyl alcohol, p-methoxy-
• NSC 2151
• p-Anisol alcohol
• p-Anisyl alcohol
• p-Methoxybenzyl alcohol

• 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).
• 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	-257.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.40	kJ/mol	Joback Calculated Property
ΔvapH°	79.15	kJ/mol	Relay (1.0) Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-1.32		Relay (1.0) Calculated Property
logPoct/wat	1.188		Crippen Calculated Property
McVol	111.560	ml/mol	McGowan Calculated Property
Pc	3930.78	kPa	Joback Calculated Property
Inp	[1242.00; 1312.00]
Inp	1246.80		NIST
Inp	1273.00		NIST
Inp	1279.00		NIST
Inp	1278.00		NIST
Inp	1295.00		NIST
Inp	1277.00		NIST
Inp	1279.00		NIST
Inp	1279.00		NIST
Inp	1279.00		NIST
Inp	1282.00		NIST
Inp	1270.00		NIST
Inp	1308.00		NIST
Inp	1303.00		NIST
Inp	1304.00		NIST
Inp	1304.00		NIST
Inp	1312.00		NIST
Inp	1307.00		NIST
Inp	1284.00		NIST
Inp	1290.00		NIST
Inp	1242.00		NIST
Inp	1242.00		NIST
Inp	1244.00		NIST
Inp	1244.00		NIST
Inp	1249.00		NIST
Inp	1293.00		NIST
Inp	1290.00		NIST
Inp	1267.00		NIST
Inp	1295.00		NIST
Inp	1275.00		NIST
Inp	1267.00		NIST
Inp	1277.00		NIST
Inp	1273.00		NIST
Ip	[2268.00; 2305.00]
Ip	2290.00		NIST
Ip	2268.00		NIST
Ip	2305.00		NIST
Ip	2302.00		NIST
Ip	2305.00		NIST
Ip	2290.00		NIST
Tboil	[489.15; 532.30]	K
Tboil	532.30	K	NIST
Tboil	489.15 ± 2.00	K	NIST
Tc	734.10	K	Relay (1.0) Calculated Property
Tfus	[290.15; 298.15]	K
Tfus	298.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	290.15 ± 1.50	K	NIST

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	[71.70; 95.60]	kJ/mol	[403.50; 409.00]
ΔvapH	71.70	kJ/mol	403.50	NIST
ΔvapH	95.60	kJ/mol	409.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.39; 347.66]	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			6.80100e+00
Coefficient B			5.96220e-01
Coefficient C			-2.94960e-04
Coefficient D			3.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.39	J/mol×K	273.00	Calculated Property
Cp,gas	182.57	J/mol×K	353.78	Calculated Property
Cp,gas	213.44	J/mol×K	434.56	Calculated Property
Cp,gas	241.14	J/mol×K	515.33	Calculated Property
Cp,gas	265.79	J/mol×K	596.11	Calculated Property
Cp,gas	287.51	J/mol×K	676.89	Calculated Property
Cp,gas	306.44	J/mol×K	757.67	Calculated Property
Cp,gas	322.69	J/mol×K	838.44	Calculated Property
Cp,gas	336.39	J/mol×K	919.22	Calculated Property
Cp,gas	347.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082140; 0.0001315]	Pa×s	[294.15; 508.22]	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			-1.46185e+01
Coefficient B			2.88756e+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.			294.15
Temperature range, max.			508.22
η	0.0082140	Pa×s	294.15	Calculated Property
η	0.0039409	Pa×s	317.94	Calculated Property
η	0.0020943	Pa×s	341.72	Calculated Property
η	0.0012085	Pa×s	365.51	Calculated Property
η	0.0007458	Pa×s	389.29	Calculated Property
η	0.0004865	Pa×s	413.08	Calculated Property
η	0.0003325	Pa×s	436.87	Calculated Property
η	0.0002364	Pa×s	460.65	Calculated Property
η	0.0001737	Pa×s	484.44	Calculated Property
η	0.0001315	Pa×s	508.22	Calculated Property

Similar Compounds

Find more compounds similar to ANISYL ALCOHOL.

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
• Joback Method
• McGowan Method
• NIST Webbook

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