Chemical Properties of OXYPHENISATIN ACETATE

InChI

InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)

InChI Key

PHPUXYRXPHEJDF-UHFFFAOYSA-N

Formula

C24H19NO5

SMILES

CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1

Molecular Weight¹

401.42

Other Names

• 2-Indolinone, 3,3-bis(p-hydroxyphenyl)-, diacetate (ester)
• 2H-Indol-2-one, 3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-
• 3,3-Bis(4-acetoxyphenyl)oxindole
• 3,3-Bis(p-acetoxyphenyl)-2-indolinone
• 3,3-Bis(p-acetoxyphenyl)oxindole
• 3,3-Bis(p-hydroxyphenyl)-2-indolinone diacetate
• 3,3-Bis(p-hydroxyphenyl)-2-indolinone diacetate (ester)
• 3,3-Bis[4-(acetyloxy)phenyl]-1,3-dihydro-2H-indol-2-one
• 4,4'-Diacetoxydiphenylisatin
• Acelax
• Acetalax
• Acetophenolisatin
• Acetphenolisatin
• Bisatin
• Brocatine
• Bydolax
• Cirotyl
• Contax
• Darmoletten
• Diacetoxydiphenylisatin
• Diacetyl bis(hydroxyphenyl)isatin
• Diacetyl bis(p-hydroxyphenyl)isatin
• Diacetyldihydroxydiphenylisatin
• Diacetyldioxyphenylisatin
• Diacetyldiphenolisatin
• Diphesatin
• Diphesatine
• Eulaxin
• Isacen
• Isaphen
• Isaphenin
• Isatin, O,O'-diacetyldiphenol-
• Isocrin
• Izafenin
• LA 96
• Lavema
• Laxo-Isatin
• Laxocol
• Lenavac
• Lisagal
• NSC 117186
• NSC-59687
• Oxindole, 3,3'-bis(p-hydroxyphenyl)-, diacetate
• Promassolax
• Prulet
• Prulet Liquitab
• Puragaceen
• Purgaceen
• Purgophen
• Sanapert
• Tete-Lax
• oxyphenisatine di(acetate)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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	-529.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.55	kJ/mol	Joback Calculated Property
ΔvapH°	126.61	kJ/mol	Relay (1.0) Calculated Property
IE	7.51	eV	Relay (1.0) Calculated Property
logPoct/wat	3.824		Crippen Calculated Property
McVol	293.310	ml/mol	McGowan Calculated Property
Tboil	726.16	K	Relay (1.0) Calculated Property
Tfus	[516.00; 524.00]	K
Tfus	524.00 ± 3.00	K	NIST
Tfus	516.00 ± 8.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[958.22; 1059.90]	J/mol×K	[1083.49; 1353.78]
Cp,gas	958.22	J/mol×K	1083.49	Joback Calculated Property
Cp,gas	974.75	J/mol×K	1128.54	Joback Calculated Property
Cp,gas	991.15	J/mol×K	1173.59	Joback Calculated Property
Cp,gas	1007.63	J/mol×K	1218.63	Joback Calculated Property
Cp,gas	1024.44	J/mol×K	1263.68	Joback Calculated Property
Cp,gas	1041.78	J/mol×K	1308.73	Joback Calculated Property
Cp,gas	1059.90	J/mol×K	1353.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to OXYPHENISATIN ACETATE.

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.