Chemical Properties of [1.1.1]Propellane (CAS 35634-10-7)

InChI

InChI=1S/C5H6/c1-4-2-5(1,4)3-4/h1-3H2

InChI Key

ZTXSPLGEGCABFL-UHFFFAOYSA-N

Formula

C5H6

SMILES

C1C23CC12C3

Molecular Weight¹

66.10

CAS

35634-10-7

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[77.78; 138.19]	J/mol×K	[322.09; 519.85]
Cp,gas	77.78	J/mol×K	322.09	Joback Calculated Property
Cp,gas	92.79	J/mol×K	355.05	Joback Calculated Property
Cp,gas	105.51	J/mol×K	388.01	Joback Calculated Property
Cp,gas	116.18	J/mol×K	420.97	Joback Calculated Property
Cp,gas	125.03	J/mol×K	453.93	Joback Calculated Property
Cp,gas	132.28	J/mol×K	486.89	Joback Calculated Property
Cp,gas	138.19	J/mol×K	519.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to [1.1.1]Propellane.

Sources

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

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