Chemical Properties of Cyclohexanecarboxylic acid, 4-methoxy-, hex-4-yn-3-yl ester

InChI

InChI=1S/C14H22O3/c1-4-6-12(5-2)17-14(15)11-7-9-13(16-3)10-8-11/h11-13H,5,7-10H2,1-3H3

InChI Key

OEUKEWKCXLFYRX-UHFFFAOYSA-N

Formula

C14H22O3

SMILES

CC#CC(CC)OC(=O)C1CCC(OC)CC1

Molecular Weight¹

238.32

• 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°	-54.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-408.31	kJ/mol	Joback Calculated Property
ΔfusH°	28.50	kJ/mol	Joback Calculated Property
ΔvapH°	60.21	kJ/mol	Joback Calculated Property
log10WS	-3.30		Crippen Calculated Property
logPoct/wat	2.537		Crippen Calculated Property
McVol	201.970	ml/mol	McGowan Calculated Property
Pc	2079.33	kPa	Joback Calculated Property
Inp	[1709.00; 1709.00]
Inp	1709.00		NIST
Inp	1709.00		NIST
Tboil	641.87	K	Joback Calculated Property
Tc	859.68	K	Joback Calculated Property
Tfus	436.17	K	Joback Calculated Property
Vc	0.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[551.19; 654.46]	J/mol×K	[641.87; 859.68]
Cp,gas	551.19	J/mol×K	641.87	Joback Calculated Property
Cp,gas	571.31	J/mol×K	678.17	Joback Calculated Property
Cp,gas	590.27	J/mol×K	714.47	Joback Calculated Property
Cp,gas	608.06	J/mol×K	750.78	Joback Calculated Property
Cp,gas	624.69	J/mol×K	787.08	Joback Calculated Property
Cp,gas	640.16	J/mol×K	823.38	Joback Calculated Property
Cp,gas	654.46	J/mol×K	859.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, hex-4-yn-3-yl ester.

Sources

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

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