Chemical Properties of [3.3.3]Propellane-2,8-dione, 9-methylene- (CAS 112112-58-0)

InChI

InChI=1S/C12H14O2/c1-8-2-5-11-6-3-9(13)12(8,11)10(14)4-7-11/h1-7H2

InChI Key

XOUFDVRLVGVXSP-UHFFFAOYSA-N

Formula

C12H14O2

SMILES

C=C1CCC23CCC(=O)C12C(=O)CC3

Molecular Weight¹

190.24

CAS

112112-58-0

• 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°	12.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-225.27	kJ/mol	Joback Calculated Property
ΔfusH°	1.24	kJ/mol	Joback Calculated Property
ΔvapH°	49.05	kJ/mol	Joback Calculated Property
IE	[8.50; 8.77]	eV
IE	8.50	eV	NIST
IE	8.77	eV	NIST
log10WS	-2.46		Crippen Calculated Property
logPoct/wat	2.035		Crippen Calculated Property
McVol	146.200	ml/mol	McGowan Calculated Property
Pc	3388.08	kPa	Joback Calculated Property
Tboil	642.67	K	Joback Calculated Property
Tc	909.29	K	Joback Calculated Property
Tfus	473.94	K	Joback Calculated Property
Vc	0.557	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[412.99; 515.76]	J/mol×K	[642.67; 909.29]
Cp,gas	412.99	J/mol×K	642.67	Joback Calculated Property
Cp,gas	430.94	J/mol×K	687.11	Joback Calculated Property
Cp,gas	448.04	J/mol×K	731.54	Joback Calculated Property
Cp,gas	464.68	J/mol×K	775.98	Joback Calculated Property
Cp,gas	481.26	J/mol×K	820.42	Joback Calculated Property
Cp,gas	498.16	J/mol×K	864.85	Joback Calculated Property
Cp,gas	515.76	J/mol×K	909.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to [3.3.3]Propellane-2,8-dione, 9-methylene-.

Sources

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

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