Chemical Properties of Glutaric acid, oct-1-en-3-yl hex-4-yn-3-yl ester

InChI

InChI=1S/C19H30O4/c1-5-9-10-13-17(8-4)23-19(21)15-11-14-18(20)22-16(7-3)12-6-2/h8,16-17H,4-5,7,9-11,13-15H2,1-3H3

InChI Key

SZYOPPTUJHLDCK-UHFFFAOYSA-N

Formula

C19H30O4

SMILES

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

Molecular Weight¹

322.44

• 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°	-72.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-537.92	kJ/mol	Joback Calculated Property
ΔfusH°	45.34	kJ/mol	Joback Calculated Property
ΔvapH°	76.91	kJ/mol	Joback Calculated Property
log10WS	-5.37		Crippen Calculated Property
logPoct/wat	4.180		Crippen Calculated Property
McVol	280.550	ml/mol	McGowan Calculated Property
Pc	1339.80	kPa	Joback Calculated Property
Inp	[2074.00; 2074.00]
Inp	2074.00		NIST
Inp	2074.00		NIST
Tboil	791.50	K	Joback Calculated Property
Tc	985.94	K	Joback Calculated Property
Tfus	522.55	K	Joback Calculated Property
Vc	1.079	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[835.04; 921.15]	J/mol×K	[791.50; 985.94]
Cp,gas	835.04	J/mol×K	791.50	Joback Calculated Property
Cp,gas	851.88	J/mol×K	823.91	Joback Calculated Property
Cp,gas	867.70	J/mol×K	856.31	Joback Calculated Property
Cp,gas	882.52	J/mol×K	888.72	Joback Calculated Property
Cp,gas	896.35	J/mol×K	921.13	Joback Calculated Property
Cp,gas	909.23	J/mol×K	953.53	Joback Calculated Property
Cp,gas	921.15	J/mol×K	985.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, oct-1-en-3-yl hex-4-yn-3-yl ester.

Sources

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

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