Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, but-3-yn-2-yl ester

InChI

InChI=1S/C14H14O2/c1-3-10(2)16-14(15)13-9-12(13)11-7-5-4-6-8-11/h1,4-8,10,12-13H,9H2,2H3

InChI Key

IOIWVCMKWWNHQJ-UHFFFAOYSA-N

Formula

C14H14O2

SMILES

C#CC(C)OC(=O)C1CC1c1ccccc1

Molecular Weight¹

214.26

• ω : Acentric Factor.
• 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).
• I_np : Non-polar retention indices.
• 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
ω	0.4075		Relay (1.0) Calculated Property
ΔfG°	219.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-56.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.50	kJ/mol	Joback Calculated Property
ΔvapH°	78.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-3.41		Relay (1.0) Calculated Property
logPoct/wat	2.355		Crippen Calculated Property
McVol	172.340	ml/mol	McGowan Calculated Property
Pc	2679.08	kPa	Joback Calculated Property
Inp	[1628.00; 1628.00]
Inp	1628.00		NIST
Inp	1628.00		NIST
Tboil	528.33	K	Relay (1.0) Calculated Property
Tc	786.75	K	Relay (1.0) Calculated Property
Tfus	315.92	K	Relay (1.0) Calculated Property
Vc	0.603	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[438.86; 522.48]	J/mol×K	[614.44; 847.37]
Cp,gas	438.86	J/mol×K	614.44	Joback Calculated Property
Cp,gas	455.57	J/mol×K	653.26	Joback Calculated Property
Cp,gas	471.07	J/mol×K	692.08	Joback Calculated Property
Cp,gas	485.44	J/mol×K	730.90	Joback Calculated Property
Cp,gas	498.74	J/mol×K	769.72	Joback Calculated Property
Cp,gas	511.07	J/mol×K	808.54	Joback Calculated Property
Cp,gas	522.48	J/mol×K	847.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, but-3-yn-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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