Chemical Properties of 3-Cyclopentylpropionic acid, but-3-yn-2-yl ester

InChI

InChI=1S/C12H18O2/c1-3-10(2)14-12(13)9-8-11-6-4-5-7-11/h1,10-11H,4-9H2,2H3

InChI Key

WEHCCFDMIBZMBC-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

C#CC(C)OC(=O)CCC1CCCC1

Molecular Weight¹

194.27

• 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).
• 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
ΔfG°	73.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-188.71	kJ/mol	Joback Calculated Property
ΔfusH°	23.01	kJ/mol	Joback Calculated Property
ΔvapH°	51.19	kJ/mol	Joback Calculated Property
log10WS	-3.27		Crippen Calculated Property
logPoct/wat	2.522		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Pc	2530.27	kPa	Joback Calculated Property
Inp	[1367.10; 1367.10]
Inp	1367.10		NIST
Inp	1367.10		NIST
Tboil	555.21	K	Joback Calculated Property
Tc	765.49	K	Joback Calculated Property
Tfus	340.03	K	Joback Calculated Property
Vc	0.628	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[413.64; 505.09]	J/mol×K	[555.21; 765.49]
Cp,gas	413.64	J/mol×K	555.21	Joback Calculated Property
Cp,gas	431.26	J/mol×K	590.26	Joback Calculated Property
Cp,gas	447.88	J/mol×K	625.30	Joback Calculated Property
Cp,gas	463.54	J/mol×K	660.35	Joback Calculated Property
Cp,gas	478.28	J/mol×K	695.40	Joback Calculated Property
Cp,gas	492.12	J/mol×K	730.44	Joback Calculated Property
Cp,gas	505.09	J/mol×K	765.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic acid, but-3-yn-2-yl ester.

Sources

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

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