Chemical Properties of Anisyl acetate (CAS 1331-83-5)

InChI

InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3

InChI Key

HFNGYHHRRMSKEU-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

COc1ccc(COC(C)=O)cc1

Molecular Weight¹

180.20

CAS

1331-83-5

Other Names

• Benzenemethanol, 4-methoxy-, acetate
• p-anisyl acetate

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point 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	-437.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.87	kJ/mol	Joback Calculated Property
ΔvapH°	70.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
log10WS	-2.23		Relay (1.0) Calculated Property
logPoct/wat	1.758		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Inp	[1376.00; 1426.00]
Inp	1376.00		NIST
Inp	1382.00		NIST
Inp	1382.50		NIST
Inp	1387.00		NIST
Inp	1426.00		NIST
Inp	1380.00		NIST
Inp	1419.00		NIST
Inp	1376.00		NIST
Inp	1376.00		NIST
Inp	1413.00		NIST
Inp	1390.00		NIST
Inp	1426.00		NIST
Inp	1426.00		NIST
Inp	1387.00		NIST
I	2199.00		NIST
Tboil	526.88	K	Relay (1.0) Calculated Property
Tfus	267.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[320.16; 389.81]	J/mol×K	[540.70; 749.66]
Cp,gas	320.16	J/mol×K	540.70	Joback Calculated Property
Cp,gas	333.49	J/mol×K	575.53	Joback Calculated Property
Cp,gas	346.14	J/mol×K	610.35	Joback Calculated Property
Cp,gas	358.10	J/mol×K	645.18	Joback Calculated Property
Cp,gas	369.36	J/mol×K	680.00	Joback Calculated Property
Cp,gas	379.93	J/mol×K	714.83	Joback Calculated Property
Cp,gas	389.81	J/mol×K	749.66	Joback Calculated Property
η	[0.0001582; 0.0018842]	Pa×s	[305.96; 540.70]
η	0.0018842	Pa×s	305.96	Joback Calculated Property
η	0.0009866	Pa×s	345.08	Joback Calculated Property
η	0.0005894	Pa×s	384.21	Joback Calculated Property
η	0.0003872	Pa×s	423.33	Joback Calculated Property
η	0.0002732	Pa×s	462.45	Joback Calculated Property
η	0.0002035	Pa×s	501.58	Joback Calculated Property
η	0.0001582	Pa×s	540.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Anisyl acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.