Chemical Properties of (E)-4-Methoxy-2-(prop-1-en-1-yl)phenyl 2-methylbutanoate

InChI

InChI=1S/C15H20O3/c1-5-7-12-10-13(17-4)8-9-14(12)18-15(16)11(3)6-2/h5,7-11H,6H2,1-4H3/b7-5-

InChI Key

YARRWVYKHJNVHX-FNORWQNLSA-N

Formula

C15H20O3

SMILES

C/C=C/c1cc(OC)ccc1OC(=O)C(C)CC

Molecular Weight¹

248.32

• 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).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.11	kJ/mol	Joback Calculated Property
log10WS	-4.25		Relay (1.0) Calculated Property
logPoct/wat	3.680		Crippen Calculated Property
McVol	207.460	ml/mol	McGowan Calculated Property
Inp	[1845.50; 1845.50]
Inp	1845.50		NIST
Inp	1845.50		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 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	[546.32; 629.31]	J/mol×K	[663.80; 870.33]
Cp,gas	546.32	J/mol×K	663.80	Joback Calculated Property
Cp,gas	562.50	J/mol×K	698.22	Joback Calculated Property
Cp,gas	577.71	J/mol×K	732.64	Joback Calculated Property
Cp,gas	591.98	J/mol×K	767.06	Joback Calculated Property
Cp,gas	605.33	J/mol×K	801.48	Joback Calculated Property
Cp,gas	617.76	J/mol×K	835.90	Joback Calculated Property
Cp,gas	629.31	J/mol×K	870.33	Joback Calculated Property
η	[0.0000750; 0.0013107]	Pa×s	[354.75; 663.80]
η	0.0013107	Pa×s	354.75	Joback Calculated Property
η	0.0006014	Pa×s	406.26	Joback Calculated Property
η	0.0003289	Pa×s	457.77	Joback Calculated Property
η	0.0002032	Pa×s	509.27	Joback Calculated Property
η	0.0001371	Pa×s	560.78	Joback Calculated Property
η	0.0000989	Pa×s	612.29	Joback Calculated Property
η	0.0000750	Pa×s	663.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-4-Methoxy-2-(prop-1-en-1-yl)phenyl 2-methylbutanoate.

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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