Chemical Properties of Acetic acid, [2-[(2-propenylamino)carbonyl]phenoxy]- (CAS 119-45-9)

InChI

InChI=1S/C12H13NO4/c1-2-7-13-12(16)9-5-3-4-6-10(9)17-8-11(14)15/h2-6H,1,7-8H2,(H,13,16)(H,14,15)

InChI Key

IHBWXJXQXPFUAE-UHFFFAOYSA-N

Formula

C12H13NO4

SMILES

C=CCNC(=O)c1ccccc1OCC(=O)O

Molecular Weight¹

235.24

CAS

119-45-9

Other Names

• Acetic acid, (o-(allylcarbamoyl)phenoxy)-
• Acetic acid, (o-(N-allylcarbamoyl)phenoxy)-
• Benzamide, N-allyl-, o-(carboxymethoxy)-
• [2-[(allylamino)carbonyl]phenoxy]acetic acid

• 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).
• 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	[487.16; 536.92]	J/mol×K	[774.81; 980.36]
Cp,gas	487.16	J/mol×K	774.81	Joback Calculated Property
Cp,gas	497.20	J/mol×K	809.07	Joback Calculated Property
Cp,gas	506.51	J/mol×K	843.33	Joback Calculated Property
Cp,gas	515.12	J/mol×K	877.58	Joback Calculated Property
Cp,gas	523.04	J/mol×K	911.84	Joback Calculated Property
Cp,gas	530.30	J/mol×K	946.10	Joback Calculated Property
Cp,gas	536.92	J/mol×K	980.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, [2-[(2-propenylamino)carbonyl]phenoxy]-.

Sources

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

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