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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[105.62; 281.34]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.29200e+01
Coefficient B			9.97700e-01
Coefficient C			-1.12863e-03
Coefficient D			5.05190e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	105.62	J/mol×K	273.00	Calculated Property
Cp,gas	141.16	J/mol×K	353.78	Calculated Property
Cp,gas	168.96	J/mol×K	434.56	Calculated Property
Cp,gas	190.64	J/mol×K	515.33	Calculated Property
Cp,gas	207.78	J/mol×K	596.11	Calculated Property
Cp,gas	221.98	J/mol×K	676.89	Calculated Property
Cp,gas	234.83	J/mol×K	757.67	Calculated Property
Cp,gas	247.95	J/mol×K	838.44	Calculated Property
Cp,gas	262.92	J/mol×K	919.22	Calculated Property
Cp,gas	281.34	J/mol×K	1000.00	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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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