Chemical Properties of Methyl phaseate (CAS 41670-48-8)

InChI

InChI=1S/C16H22O5/c1-11(7-13(18)20-4)5-6-16(19)14(2)8-12(17)9-15(16,3)21-10-14/h5-7,19H,8-10H2,1-4H3/b6-5+,11-7+

InChI Key

BGXJFSPEUCRBIH-LCAICKDSSA-N

Formula

C16H22O5

SMILES

COC(=O)C=C(C)C=CC1(O)C2(C)COC1(C)CC(=O)C2

Molecular Weight¹

294.34

CAS

41670-48-8

Other Names

• 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, methyl ester, [1R-[1«alpha»,5«alpha»,8S*(2Z,4E)]]-
• 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, methyl ester, [1R-[1«alpha»,5«alpha»,8S*(Z,E)]]-
• Methyl (2Z,4E)-5-(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-2,4-pentadienoate
• Phaseic acid methyl ester
• Me-2-trans-phaseic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[733.62; 882.66]	J/mol×K	[854.99; 1083.29]
Cp,gas	733.62	J/mol×K	854.99	Joback Calculated Property
Cp,gas	754.27	J/mol×K	893.04	Joback Calculated Property
Cp,gas	776.11	J/mol×K	931.09	Joback Calculated Property
Cp,gas	799.51	J/mol×K	969.14	Joback Calculated Property
Cp,gas	824.82	J/mol×K	1007.19	Joback Calculated Property
Cp,gas	852.41	J/mol×K	1045.24	Joback Calculated Property
Cp,gas	882.66	J/mol×K	1083.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl phaseate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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