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

InChI

InChI=1S/C16H22O4/c1-3-11(2)19-15(17)5-4-6-16(18)20-14-10-12-7-8-13(14)9-12/h1,11-14H,4-10H2,2H3

InChI Key

MZSQLNDULFIOJH-UHFFFAOYSA-N

Formula

C16H22O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OC1CC2CCC1C2

Molecular Weight¹

278.34

• 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°	-61.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-457.45	kJ/mol	Joback Calculated Property
ΔfusH°	37.46	kJ/mol	Joback Calculated Property
ΔvapH°	68.68	kJ/mol	Joback Calculated Property
log10WS	-3.57		Crippen Calculated Property
logPoct/wat	2.453		Crippen Calculated Property
McVol	220.860	ml/mol	McGowan Calculated Property
Pc	1968.30	kPa	Joback Calculated Property
Inp	[1924.00; 1924.00]
Inp	1924.00		NIST
Inp	1924.00		NIST
Tboil	720.82	K	Joback Calculated Property
Tc	930.06	K	Joback Calculated Property
Tfus	474.49	K	Joback Calculated Property
Vc	0.841	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.55; 748.17]	J/mol×K	[720.82; 930.06]
Cp,gas	659.55	J/mol×K	720.82	Joback Calculated Property
Cp,gas	676.87	J/mol×K	755.69	Joback Calculated Property
Cp,gas	693.10	J/mol×K	790.57	Joback Calculated Property
Cp,gas	708.29	J/mol×K	825.44	Joback Calculated Property
Cp,gas	722.50	J/mol×K	860.31	Joback Calculated Property
Cp,gas	735.77	J/mol×K	895.19	Joback Calculated Property
Cp,gas	748.17	J/mol×K	930.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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