Chemical Properties of Cyclopropane, 1-ethynyl-1-ethenyl- (CAS 105961-74-8)

InChI

InChI=1S/C7H8/c1-3-7(4-2)5-6-7/h1,4H,2,5-6H2

InChI Key

TYVGPCXTPUBRCP-UHFFFAOYSA-N

Formula

C7H8

SMILES

C#CC1(C=C)CC1

Molecular Weight¹

92.14

CAS

105961-74-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	7.42	kJ/mol	Joback Calculated Property
IE	[8.60; 9.00]	eV
IE	8.60	eV	NIST
IE	9.00	eV	NIST
logPoct/wat	1.586		Crippen Calculated Property
McVol	85.730	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.98; 200.30]	J/mol×K	[353.34; 558.71]
Cp,gas	140.98	J/mol×K	353.34	Joback Calculated Property
Cp,gas	153.64	J/mol×K	387.57	Joback Calculated Property
Cp,gas	165.02	J/mol×K	421.80	Joback Calculated Property
Cp,gas	175.26	J/mol×K	456.02	Joback Calculated Property
Cp,gas	184.47	J/mol×K	490.25	Joback Calculated Property
Cp,gas	192.78	J/mol×K	524.48	Joback Calculated Property
Cp,gas	200.30	J/mol×K	558.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropane, 1-ethynyl-1-ethenyl-.

Sources

• 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
• Joback Method
• McGowan Method
• NIST Webbook

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