Chemical Properties of Benzeneacetic acid, 4-hydroxy- (CAS 156-38-7)

InChI

InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)

InChI Key

XQXPVVBIMDBYFF-UHFFFAOYSA-N

Formula

C8H8O3

SMILES

O=C(O)Cc1ccc(O)cc1

Molecular Weight¹

152.15

CAS

156-38-7

Other Names

• (4-Hydroxyphenyl)acetic acid
• (p-Hydroxyphenyl)acetic acid
• 4-Hydroxybenzeneacetic acid
• 4-hydroxyphenylacetic acid
• Acetic acid, (p-hydroxyphenyl)-
• Parahydroxy phenylacetic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-477.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.44	kJ/mol	Joback Calculated Property
ΔvapH°	92.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.12 ± 0.02	eV	NIST
log10WS	-0.94		Aq. Solubility Prediction
logPoct/wat	1.019		Crippen Calculated Property
McVol	113.130	ml/mol	McGowan Calculated Property
Pc	4980.35	kPa	Joback Calculated Property
Inp	[1545.00; 1557.80]
Inp	1557.80		NIST
Inp	1545.00		NIST
Tboil	570.09	K	Relay (1.0) Calculated Property
Tc	822.89	K	Relay (1.0) Calculated Property
Tfus	423.60 ± 0.50	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[281.01; 326.74]	J/mol×K	[635.45; 873.66]
Cp,gas	281.01	J/mol×K	635.45	Joback Calculated Property
Cp,gas	290.06	J/mol×K	675.15	Joback Calculated Property
Cp,gas	298.40	J/mol×K	714.85	Joback Calculated Property
Cp,gas	306.13	J/mol×K	754.55	Joback Calculated Property
Cp,gas	313.37	J/mol×K	794.25	Joback Calculated Property
Cp,gas	320.20	J/mol×K	833.96	Joback Calculated Property
Cp,gas	326.74	J/mol×K	873.66	Joback Calculated Property
η	[0.0000316; 0.0003023]	Pa×s	[478.66; 635.45]
η	0.0003023	Pa×s	478.66	Joback Calculated Property
η	0.0001883	Pa×s	504.79	Joback Calculated Property
η	0.0001229	Pa×s	530.92	Joback Calculated Property
η	0.0000834	Pa×s	557.06	Joback Calculated Property
η	0.0000587	Pa×s	583.19	Joback Calculated Property
η	0.0000425	Pa×s	609.32	Joback Calculated Property
η	0.0000316	Pa×s	635.45	Joback Calculated Property
ΔfusH	[28.00; 28.40]	kJ/mol	[422.90; 423.60]
ΔfusH	28.00	kJ/mol	422.90	NIST
ΔfusH	28.40	kJ/mol	423.60	NIST

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 4-hydroxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction 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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