Chemical Properties of [3.3.3]Propellane, 2,8,9-tris(methylene)- (CAS 58461-87-3)

InChI

InChI=1S/C14H18/c1-10-4-7-13-8-5-11(2)14(10,13)12(3)6-9-13/h1-9H2

InChI Key

QZCISUCJHQWIHV-UHFFFAOYSA-N

Formula

C14H18

SMILES

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

Molecular Weight¹

186.29

CAS

58461-87-3

• 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°	381.02	kJ/mol	Joback Calculated Property
ΔfH°gas	177.33	kJ/mol	Joback Calculated Property
ΔfusH°	5.08	kJ/mol	Joback Calculated Property
ΔvapH°	45.33	kJ/mol	Joback Calculated Property
IE	[8.40; 8.90]	eV
IE	8.40	eV	NIST
IE	8.90	eV	NIST
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	4.009		Crippen Calculated Property
McVol	162.640	ml/mol	McGowan Calculated Property
Pc	2651.56	kPa	Joback Calculated Property
Tboil	551.11	K	Joback Calculated Property
Tc	783.90	K	Joback Calculated Property
Tfus	387.40	K	Joback Calculated Property
Vc	0.624	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[409.23; 505.24]	J/mol×K	[551.11; 783.90]
Cp,gas	409.23	J/mol×K	551.11	Joback Calculated Property
Cp,gas	427.92	J/mol×K	589.91	Joback Calculated Property
Cp,gas	445.11	J/mol×K	628.71	Joback Calculated Property
Cp,gas	461.11	J/mol×K	667.51	Joback Calculated Property
Cp,gas	476.24	J/mol×K	706.30	Joback Calculated Property
Cp,gas	490.84	J/mol×K	745.10	Joback Calculated Property
Cp,gas	505.24	J/mol×K	783.90	Joback Calculated Property

Similar Compounds

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

Sources

• 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.