Chemical Properties of Pindone (CAS 83-26-1)

InChI

InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3

InChI Key

RZKYEQDPDZUERB-UHFFFAOYSA-N

Formula

C14H14O3

SMILES

CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O

Molecular Weight¹

230.26

CAS

83-26-1

Other Names

• 1,3-Indandione, 2-pivaloyl-
• 1H-Indene-1,3(2H)-dione, 2-(2,2-dimethyl-1-oxopropyl)-
• 2-(2,2-Dimethyl-1-oxopropyl)-1H-indene-1,3-(2H)-dione
• 2-(Trimethylacetyl)-1,3-indandione
• 2-(Trimetil-acetil)-indan-1,3-dione
• 2-Pivaloyl-1,3-indandione
• 2-Pivaloyl-indaan-1,3-dion
• 2-Pivaloyl-indan-1,3-dion
• 2-Pivaloylindan-1,3-dione
• 2-Pivaloylindane-1,3-dione
• 2-Pivalyl-1,3-indandione
• Chemrat
• Latka 333
• NSC 31211
• Pindon
• Pivacin
• Pival
• Pivaldion
• Pivaldione
• Pivalyl
• Pivalyl Valone
• Pivalyl indan-1,3-dione
• Pivalyn
• Tri-ban
• UN 2472

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-140.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-431.16	kJ/mol	Joback Calculated Property
ΔfusH°	17.01	kJ/mol	Joback Calculated Property
ΔvapH°	63.55	kJ/mol	Joback Calculated Property
log10WS	-4.11		Aq. Sol...
logPoct/wat	2.297		Crippen Calculated Property
McVol	178.210	ml/mol	McGowan Calculated Property
Pc	2592.49	kPa	Joback Calculated Property
Inp	[1740.00; 1808.00]
Inp	1783.00		NIST
Inp	1808.00		NIST
Inp	1740.00		NIST
Inp	1740.00		NIST
Inp	1783.00		NIST
Tboil	744.40	K	Joback Calculated Property
Tc	997.15	K	Joback Calculated Property
Tfus	[382.70; 383.00]	K
Tfus	382.88 ± 0.20	K	NIST
Tfus	382.70 ± 0.20	K	NIST
Tfus	383.00 ± 0.20	K	NIST
Vc	0.677	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[513.12; 587.92]	J/mol×K	[744.40; 997.15]
Cp,gas	513.12	J/mol×K	744.40	Joback Calculated Property
Cp,gas	528.73	J/mol×K	786.52	Joback Calculated Property
Cp,gas	543.03	J/mol×K	828.65	Joback Calculated Property
Cp,gas	556.06	J/mol×K	870.77	Joback Calculated Property
Cp,gas	567.85	J/mol×K	912.90	Joback Calculated Property
Cp,gas	578.46	J/mol×K	955.02	Joback Calculated Property
Cp,gas	587.92	J/mol×K	997.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pindone.

Sources

• 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.