Chemical Properties of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis- (CAS 17669-30-6)

InChI

InChI=1S/C13H13NO5/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7,9,11H,1-2H3/t9-,11+/m1/s1

InChI Key

RZUSIVILFUXVKH-KOLCDFICSA-N

Formula

C13H13NO5

SMILES

COC(=O)C1ON=C(c2ccccc2)C1C(=O)OC

Molecular Weight¹

263.25

CAS

17669-30-6

Other Names

• 2-Isoxazoline-4,5-dicarboxylic acid, 3-phenyl-, dimethyl ester, cis-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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).
• 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).
• 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	[553.79; 618.15]	J/mol×K	[771.50; 1011.41]
Cp,gas	553.79	J/mol×K	771.50	Joback Calculated Property
Cp,gas	568.16	J/mol×K	811.49	Joback Calculated Property
Cp,gas	581.10	J/mol×K	851.47	Joback Calculated Property
Cp,gas	592.58	J/mol×K	891.46	Joback Calculated Property
Cp,gas	602.59	J/mol×K	931.44	Joback Calculated Property
Cp,gas	611.12	J/mol×K	971.43	Joback Calculated Property
Cp,gas	618.15	J/mol×K	1011.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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