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_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°	374.23	kJ/mol	Joback Calculated Property
ΔfH°gas	317.56	kJ/mol	Joback Calculated Property
ΔfusH°	7.42	kJ/mol	Joback Calculated Property
ΔvapH°	29.13	kJ/mol	Joback Calculated Property
IE	[8.60; 9.00]	eV
IE	8.60	eV	NIST
IE	9.00	eV	NIST
log10WS	-2.05		Crippen Calculated Property
logPoct/wat	1.586		Crippen Calculated Property
McVol	85.730	ml/mol	McGowan Calculated Property
Pc	4299.92	kPa	Joback Calculated Property
Tboil	353.34	K	Joback Calculated Property
Tc	558.71	K	Joback Calculated Property
Tfus	255.70	K	Joback Calculated Property
Vc	0.326	m3/kmol	Joback Calculated Property

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

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

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