Chemical Properties of Carbonic acid, but-3-yn-1-yl isohexyl ester

InChI

InChI=1S/C11H18O3/c1-4-5-8-13-11(12)14-9-6-7-10(2)3/h1,10H,5-9H2,2-3H3

InChI Key

LEOVYGPHDGNOBT-UHFFFAOYSA-N

Formula

C11H18O3

SMILES

C#CCCOC(=O)OCCCC(C)C

Molecular Weight¹

198.26

• 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°	-76.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-360.77	kJ/mol	Joback Calculated Property
ΔfusH°	27.67	kJ/mol	Joback Calculated Property
ΔvapH°	51.12	kJ/mol	Joback Calculated Property
log10WS	-2.91		Crippen Calculated Property
logPoct/wat	2.599		Crippen Calculated Property
McVol	170.560	ml/mol	McGowan Calculated Property
Pc	2291.52	kPa	Joback Calculated Property
Inp	[1324.00; 1324.00]
Inp	1324.00		NIST
Inp	1324.00		NIST
Tboil	539.47	K	Joback Calculated Property
Tc	723.67	K	Joback Calculated Property
Tfus	340.09	K	Joback Calculated Property
Vc	0.649	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[404.45; 479.72]	J/mol×K	[539.47; 723.67]
Cp,gas	404.45	J/mol×K	539.47	Joback Calculated Property
Cp,gas	418.40	J/mol×K	570.17	Joback Calculated Property
Cp,gas	431.78	J/mol×K	600.87	Joback Calculated Property
Cp,gas	444.60	J/mol×K	631.57	Joback Calculated Property
Cp,gas	456.86	J/mol×K	662.27	Joback Calculated Property
Cp,gas	468.57	J/mol×K	692.97	Joback Calculated Property
Cp,gas	479.72	J/mol×K	723.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, but-3-yn-1-yl isohexyl ester.

Sources

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

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