Chemical Properties of 1-(4-Acetoxy-3-methoxyphenyl)allyl acetate (CAS 53890-24-7)

InChI

InChI=1S/C14H16O5/c1-5-12(18-9(2)15)11-6-7-13(19-10(3)16)14(8-11)17-4/h5-8,12H,1H2,2-4H3

InChI Key

NKRBAUXTIWONOV-UHFFFAOYSA-N

Formula

C14H16O5

SMILES

C=CC(OC(C)=O)c1ccc(OC(C)=O)c(OC)c1

Molecular Weight¹

264.27

CAS

53890-24-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.40	kJ/mol	Joback Calculated Property
logPoct/wat	2.411		Crippen Calculated Property
McVol	200.810	ml/mol	McGowan Calculated Property
Inp	[1799.90; 1799.90]
Inp	1799.90		NIST
Inp	1799.90		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.27; 623.74]	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			5.65000e+01
Coefficient B			9.49060e-01
Coefficient C			-3.60820e-04
Coefficient D			-2.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	288.27	J/mol×K	273.00	Calculated Property
Cp,gas	346.17	J/mol×K	353.78	Calculated Property
Cp,gas	399.06	J/mol×K	434.56	Calculated Property
Cp,gas	446.89	J/mol×K	515.33	Calculated Property
Cp,gas	489.58	J/mol×K	596.11	Calculated Property
Cp,gas	527.08	J/mol×K	676.89	Calculated Property
Cp,gas	559.31	J/mol×K	757.67	Calculated Property
Cp,gas	586.20	J/mol×K	838.44	Calculated Property
Cp,gas	607.70	J/mol×K	919.22	Calculated Property
Cp,gas	623.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011031; 0.0001011]	Pa×s	[389.13; 629.76]	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			-1.30640e+01
Coefficient B			2.43377e+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.			389.13
Temperature range, max.			629.76
η	0.0011031	Pa×s	389.13	Calculated Property
η	0.0007379	Pa×s	415.87	Calculated Property
η	0.0005181	Pa×s	442.60	Calculated Property
η	0.0003788	Pa×s	469.34	Calculated Property
η	0.0002864	Pa×s	496.08	Calculated Property
η	0.0002229	Pa×s	522.81	Calculated Property
η	0.0001777	Pa×s	549.55	Calculated Property
η	0.0001447	Pa×s	576.29	Calculated Property
η	0.0001200	Pa×s	603.03	Calculated Property
η	0.0001011	Pa×s	629.76	Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-Acetoxy-3-methoxyphenyl)allyl 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.
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