Chemical Properties of ortho-Formylphenoxyacetic acid (CAS 6280-80-4)

InChI

InChI=1S/C9H8O4/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-5H,6H2,(H,11,12)

InChI Key

ANWMNLAAFDCKMT-UHFFFAOYSA-N

Formula

C9H8O4

SMILES

O=Cc1ccccc1OCC(=O)O

Molecular Weight¹

180.16

CAS

6280-80-4

Other Names

• 2-Formylphenoxyacetic acid
• Acetic acid, (2-formylphenoxy)-
• o-Formylphenoxyacetic acid
• Acetic acid, (o-formylphenoxy)-
• 2-(2-Formylphenoxy)acetic acid
• 2-Carboxymethoxybenzaldehyde

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.64; 382.14]	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			1.66010e+01
Coefficient B			6.82500e-01
Coefficient C			-3.84560e-04
Coefficient D			6.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.64	J/mol×K	273.00	Calculated Property
Cp,gas	212.92	J/mol×K	353.78	Calculated Property
Cp,gas	246.11	J/mol×K	434.56	Calculated Property
Cp,gas	275.44	J/mol×K	515.33	Calculated Property
Cp,gas	301.11	J/mol×K	596.11	Calculated Property
Cp,gas	323.35	J/mol×K	676.89	Calculated Property
Cp,gas	342.35	J/mol×K	757.67	Calculated Property
Cp,gas	358.34	J/mol×K	838.44	Calculated Property
Cp,gas	371.53	J/mol×K	919.22	Calculated Property
Cp,gas	382.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009299; 0.0002614]	Pa×s	[454.96; 614.47]	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			-1.18682e+01
Coefficient B			2.22370e+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.			454.96
Temperature range, max.			614.47
η	0.0009299	Pa×s	454.96	Calculated Property
η	0.0007742	Pa×s	472.68	Calculated Property
η	0.0006531	Pa×s	490.41	Calculated Property
η	0.0005576	Pa×s	508.13	Calculated Property
η	0.0004811	Pa×s	525.85	Calculated Property
η	0.0004191	Pa×s	543.58	Calculated Property
η	0.0003684	Pa×s	561.30	Calculated Property
η	0.0003263	Pa×s	579.03	Calculated Property
η	0.0002911	Pa×s	596.75	Calculated Property
η	0.0002614	Pa×s	614.47	Calculated Property

Similar Compounds

Find more compounds similar to ortho-Formylphenoxyacetic acid.

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

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