Chemical Properties of Octabenzone (CAS 1843-05-6)

InChI

InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3

InChI Key

QUAMTGJKVDWJEQ-UHFFFAOYSA-N

Formula

C21H26O3

SMILES

CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1

Molecular Weight¹

326.43

CAS

1843-05-6

Other Names

• 2-Benzoyl-5-(octyloxy)phenol
• 2-Hydroxy-4-(n-octoxy)benzophenone
• 2-Hydroxy-4-(n-octyloxy)benzophenone
• 2-Hydroxy-4-(octoxy)benzophenone
• 2-Hydroxy-4-(octyloxy)benzophenone
• 2-Hydroxy-4-oktyloxybenzofenon
• 4-(Octoxy)-2-hydroxybenzophenone
• 4-(Octyloxy)-2-hydroxybenzophenone
• 4-(n-Octyloxy)-2-hydroxybenzophenone
• Aduvex 248
• Advastab 46
• Anti-UV P
• Benzon OO
• Benzophenone, 2-hydroxy-4-(octyloxy)-
• Benzophenone-12
• Carstab 700
• Chimassorb 81
• Cyasorb UV 531
• Hostavin ARO 8
• Lowilite 22
• Mark 1413
• Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-
• NSC 163400
• Octabenzon
• Rhodialux P
• Sanduvor 3035
• Seikalizer E
• Specta-srob UV 531
• Spectra-Sorb UV 531
• Sumisorb 130
• UF 4
• UV 1
• UV 1 (ultraviolet absorber)
• UV 531
• Uvinul 408
• Uvinul M 408
• Viosorb 130
• Zislizer E
• [2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone

• ω : Acentric Factor.
• 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_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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.22; 892.59]	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			-4.57730e+01
Coefficient B			1.84492e+00
Coefficient C			-1.24062e-03
Coefficient D			3.34060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.22	J/mol×K	273.00	Calculated Property
Cp,gas	466.44	J/mol×K	353.78	Calculated Property
Cp,gas	549.08	J/mol×K	434.56	Calculated Property
Cp,gas	621.22	J/mol×K	515.33	Calculated Property
Cp,gas	683.91	J/mol×K	596.11	Calculated Property
Cp,gas	738.21	J/mol×K	676.89	Calculated Property
Cp,gas	785.17	J/mol×K	757.67	Calculated Property
Cp,gas	825.85	J/mol×K	838.44	Calculated Property
Cp,gas	861.30	J/mol×K	919.22	Calculated Property
Cp,gas	892.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0895495; 0.0000065]	Pa×s	[321.40; 784.67]	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			-1.85438e+01
Coefficient B			5.18444e+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.			321.40
Temperature range, max.			784.67
η	0.0895495	Pa×s	321.40	Calculated Property
η	0.0096597	Pa×s	372.87	Calculated Property
η	0.0017885	Pa×s	424.35	Calculated Property
η	0.0004770	Pa×s	475.82	Calculated Property
η	0.0001646	Pa×s	527.30	Calculated Property
η	0.0000687	Pa×s	578.77	Calculated Property
η	0.0000330	Pa×s	630.25	Calculated Property
η	0.0000178	Pa×s	681.72	Calculated Property
η	0.0000104	Pa×s	733.20	Calculated Property
η	0.0000065	Pa×s	784.67	Calculated Property

Similar Compounds

Find more compounds similar to Octabenzone.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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