Chemical Properties of 1H-Inden-1-one, 2,3-dihydro- (CAS 83-33-0)

InChI

InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2

InChI Key

QNXSIUBBGPHDDE-UHFFFAOYSA-N

Formula

C9H8O

SMILES

O=C1CCc2ccccc21

Molecular Weight¹

132.16

CAS

83-33-0

Other Names

• 1-Indanone
• «alpha»-Hydrindone
• «alpha»-Indanone
• Indan-1-one
• Indanone
• 1-Indone
• Indanone-(1)
• 2,3-Dihydro-1H-inden-1-one
• 2,3-Dihydro-1-indenone
• 2,3-Dihydro-1-indanone

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• 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.
• I : 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

Property	Value	Unit	Source
ΔfG°	73.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-48.59	kJ/mol	Joback Calculated Property
ΔfusH°	9.29	kJ/mol	Joback Calculated Property
ΔsubH°	[78.70; 83.50]	kJ/mol
ΔsubH°	78.70 ± 2.80	kJ/mol	NIST
ΔsubH°	83.50 ± 0.70	kJ/mol	NIST
ΔvapH°	43.03	kJ/mol	Joback Calculated Property
IE	9.31	eV	NIST
log10WS	-2.41		Crippen Calculated Property
logPoct/wat	1.816		Crippen Calculated Property
McVol	104.620	ml/mol	McGowan Calculated Property
Pc	4067.32	kPa	Joback Calculated Property
Inp	[216.90; 1320.00]
Inp	1307.00		NIST
Inp	1292.00		NIST
Inp	1320.00		NIST
Inp	1285.00		NIST
Inp	218.00		NIST
Inp	216.90		NIST
Inp	218.86		NIST
Inp	218.00		NIST
Inp	1307.00		NIST
I	1973.00		NIST
Tboil	517.20	K	NIST
Tc	761.48	K	Joback Calculated Property
Tfus	[313.00; 351.00]	K
Tfus	313.00 ± 2.00	K	NIST
Tfus	351.00 ± 2.00	K	NIST
Tfus	313.00 ± 4.00	K	NIST
Tfus	315.15 ± 1.00	K	NIST
Vc	0.397	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.20; 292.23]	J/mol×K	[516.21; 761.48]
Cp,gas	224.20	J/mol×K	516.21	Joback Calculated Property
Cp,gas	237.69	J/mol×K	557.09	Joback Calculated Property
Cp,gas	250.26	J/mol×K	597.97	Joback Calculated Property
Cp,gas	261.96	J/mol×K	638.85	Joback Calculated Property
Cp,gas	272.82	J/mol×K	679.73	Joback Calculated Property
Cp,gas	282.89	J/mol×K	720.60	Joback Calculated Property
Cp,gas	292.23	J/mol×K	761.48	Joback Calculated Property
ΔfusH	[17.60; 17.78]	kJ/mol	[312.90; 314.10]
ΔfusH	17.78	kJ/mol	312.90	NIST
ΔfusH	17.60	kJ/mol	314.10	NIST
ΔvapH	60.30 ± 0.40	kJ/mol	333.00	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1H-Inden-1-one, 2,3-dihydro-.

Sources

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

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