Chemical Properties of 2,5(1H,3H)-Pentalenedione, tetrahydro-, cis- (CAS 51716-63-3)

InChI

InChI=1S/C8H10O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-6H,1-4H2/t5-,6+

InChI Key

HAFQHNGZPQYKFF-OLQVQODUSA-N

Formula

C8H10O2

SMILES

O=C1CC2CC(=O)CC2C1

Molecular Weight¹

138.16

CAS

51716-63-3

Other Names

• cis-Bicyclo[3.3.0]octane-3,7-dione
• cis-Bicyclo(3.3.o)octane-3,7-dione
• Tetrahydro-2,5(1H,3H)-pentalenedione, cis-
• cis-tetrahydropentalene-2,5(1H,3H)-dione

• 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).
• 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).
• 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°	-131.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.57	kJ/mol	Joback Calculated Property
ΔfusH°	7.57	kJ/mol	Joback Calculated Property
ΔvapH°	42.07	kJ/mol	Joback Calculated Property
IE	[9.40; 9.78]	eV
IE	9.40	eV	NIST
IE	9.45	eV	NIST
IE	9.78	eV	NIST
log10WS	-1.04		Crippen Calculated Property
logPoct/wat	0.945		Crippen Calculated Property
McVol	105.000	ml/mol	McGowan Calculated Property
Pc	3877.12	kPa	Joback Calculated Property
Tboil	540.10	K	Joback Calculated Property
Tc	787.01	K	Joback Calculated Property
Tfus	345.20	K	Joback Calculated Property
Vc	0.396	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.56; 346.96]	J/mol×K	[540.10; 787.01]
Cp,gas	261.56	J/mol×K	540.10	Joback Calculated Property
Cp,gas	278.14	J/mol×K	581.25	Joback Calculated Property
Cp,gas	293.78	J/mol×K	622.40	Joback Calculated Property
Cp,gas	308.48	J/mol×K	663.55	Joback Calculated Property
Cp,gas	322.25	J/mol×K	704.71	Joback Calculated Property
Cp,gas	335.07	J/mol×K	745.86	Joback Calculated Property
Cp,gas	346.96	J/mol×K	787.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5(1H,3H)-Pentalenedione, tetrahydro-, cis-.

Sources

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

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