Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, hex-4-yn-3-yl ester

InChI

InChI=1S/C16H18O2/c1-3-8-13(4-2)18-16(17)15-11-14(15)12-9-6-5-7-10-12/h5-7,9-10,13-15H,4,11H2,1-2H3

InChI Key

PRNMSQDOGMHWDP-UHFFFAOYSA-N

Formula

C16H18O2

SMILES

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

Molecular Weight¹

242.31

• 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	0.4605		Relay (... Calculated Property
ΔfG°	215.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-88.34	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.83	kJ/mol	Joback Calculated Property
ΔvapH°	83.83	kJ/mol	Relay (... Calculated Property
IE	8.65	eV	Relay (... Calculated Property
log10WS	-4.10		Relay (... Calculated Property
logPoct/wat	3.135		Crippen Calculated Property
McVol	200.520	ml/mol	McGowan Calculated Property
Pc	2241.88	kPa	Joback Calculated Property
Inp	[1886.00; 1886.00]
Inp	1886.00		NIST
Inp	1886.00		NIST
Tboil	554.04	K	Relay (... Calculated Property
Tc	812.09	K	Relay (... Calculated Property
Tfus	318.71	K	Relay (... Calculated Property
Vc	0.703	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.60; 635.20]	J/mol×K	[679.08; 913.19]
Cp,gas	544.60	J/mol×K	679.08	Joback Calculated Property
Cp,gas	562.62	J/mol×K	718.10	Joback Calculated Property
Cp,gas	579.38	J/mol×K	757.12	Joback Calculated Property
Cp,gas	594.95	J/mol×K	796.13	Joback Calculated Property
Cp,gas	609.40	J/mol×K	835.15	Joback Calculated Property
Cp,gas	622.79	J/mol×K	874.17	Joback Calculated Property
Cp,gas	635.20	J/mol×K	913.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, hex-4-yn-3-yl ester.

Sources

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

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