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

InChI

InChI=1S/C16H24O4/c1-3-13(2)20-16(18)11-7-10-15(17)19-12-14-8-5-4-6-9-14/h1,13-14H,4-12H2,2H3

InChI Key

KKZPHWTYLLKRPI-UHFFFAOYSA-N

Formula

C16H24O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OCC1CCCCC1

Molecular Weight¹

280.36

• 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°	-138.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-522.23	kJ/mol	Joback Calculated Property
ΔfusH°	34.06	kJ/mol	Joback Calculated Property
ΔvapH°	69.42	kJ/mol	Joback Calculated Property
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	2.845		Crippen Calculated Property
McVol	231.720	ml/mol	McGowan Calculated Property
Pc	1888.72	kPa	Joback Calculated Property
Inp	[1933.00; 1933.00]
Inp	1933.00		NIST
Inp	1933.00		NIST
Tboil	727.29	K	Joback Calculated Property
Tc	936.21	K	Joback Calculated Property
Tfus	453.75	K	Joback Calculated Property
Vc	0.869	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[678.37; 768.26]	J/mol×K	[727.29; 936.21]
Cp,gas	678.37	J/mol×K	727.29	Joback Calculated Property
Cp,gas	696.23	J/mol×K	762.11	Joback Calculated Property
Cp,gas	712.92	J/mol×K	796.93	Joback Calculated Property
Cp,gas	728.44	J/mol×K	831.75	Joback Calculated Property
Cp,gas	742.83	J/mol×K	866.57	Joback Calculated Property
Cp,gas	756.09	J/mol×K	901.39	Joback Calculated Property
Cp,gas	768.26	J/mol×K	936.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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