Chemical Properties of 1-Silacyclohexa-2,5-diene (CAS 81200-77-3)

InChI

InChI=1S/C5H8Si/c1-2-4-6-5-3-1/h2-5H,1,6H2

InChI Key

ALBWZGRJHDEIBS-UHFFFAOYSA-N

Formula

C5H8Si

SMILES

C1=C[SiH2]C=CC1

Molecular Weight¹

96.20

CAS

81200-77-3

Other Names

• Silacyclohexadiene-2,5

• Δ_fH°_gas : Enthalpy of formation 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	134.35	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	36.69	kJ/mol	Relay (1.0) Calculated Property
IE	[9.10; 9.80]	eV
IE	9.10	eV	NIST
IE	9.80	eV	NIST
log10WS	-2.00		Relay (1.0) Calculated Property
logPoct/wat	0.586		Crippen Calculated Property
Tboil	354.73	K	Relay (1.0) Calculated Property
Tfus	211.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 1-Silacyclohexa-2,5-diene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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