Chemical Properties of Oxybenzone (CAS 131-57-7)

InChI

InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3

InChI Key

DXGLGDHPHMLXJC-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

COc1ccc(C(=O)c2ccccc2)c(O)c1

Molecular Weight¹

228.24

CAS

131-57-7

Other Names

• Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-
• Benzophenone, 2-hydroxy-4-methoxy-
• Advastab 45
• Anuvex
• Benzophenone-3
• Chimassorb 90
• Cyasorb uv 9
• Cyasorb uv 9 light absorber
• Mob
• Oxybenzon
• Spectra-sorb UV 9
• Sunscreen UV-15
• Uvinul M 40
• Uvinul 9
• Uvistat 24
• UF 3
• UV 9
• 2-Hydroxy-4-methoxybenzophenone
• 4-Methoxy-2-hydroxybenzophenone
• MOD
• Syntase 62
• USAF cy-9
• (2-Hydroxy-4-methoxyphenyl)phenylmethanone
• NCI-C60957
• NSC-7778
• 2-Benzoyl-5-methoxyphenol
• Escalol 567
• Eusolex 4360
• HMBP
• Neo heliopan BB
• Ongrostab HMB

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	[462.89; 528.39]	J/mol×K	[734.97; 985.71]
Cp,gas	462.89	J/mol×K	734.97	Joback Calculated Property
Cp,gas	475.85	J/mol×K	776.76	Joback Calculated Property
Cp,gas	487.84	J/mol×K	818.55	Joback Calculated Property
Cp,gas	498.98	J/mol×K	860.34	Joback Calculated Property
Cp,gas	509.38	J/mol×K	902.13	Joback Calculated Property
Cp,gas	519.15	J/mol×K	943.92	Joback Calculated Property
Cp,gas	528.39	J/mol×K	985.71	Joback Calculated Property
η	[0.0000118; 0.0002250]	Pa×s	[496.78; 734.97]
η	0.0002250	Pa×s	496.78	Joback Calculated Property
η	0.0001147	Pa×s	536.48	Joback Calculated Property
η	0.0000641	Pa×s	576.18	Joback Calculated Property
η	0.0000387	Pa×s	615.88	Joback Calculated Property
η	0.0000248	Pa×s	655.57	Joback Calculated Property
η	0.0000167	Pa×s	695.27	Joback Calculated Property
η	0.0000118	Pa×s	734.97	Joback Calculated Property
ΔfusH	21.77	kJ/mol	336.70	NIST
ΔsubH	118.90	kJ/mol	309.00	NIST
ΔvapH	74.70	kJ/mol	375.00	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Oxybenzone.

Sources

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

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