Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl non-5-yn-3-yl ester

InChI

InChI=1S/C19H30O4/c1-5-7-8-9-11-17(6-2)23-19(21)13-10-12-18(20)22-15-14-16(3)4/h14,17H,5-7,10-13,15H2,1-4H3

InChI Key

FXGMVWFSCMVMEF-UHFFFAOYSA-N

Formula

C19H30O4

SMILES

CCCC#CCC(CC)OC(=O)CCCC(=O)OCC=C(C)C

Molecular Weight¹

322.44

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7532		Relay (... Calculated Property
ΔfG°	-86.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-716.95	kJ/mol	Relay (... Calculated Property
ΔfusH°	49.03	kJ/mol	Joback Calculated Property
ΔvapH°	92.03	kJ/mol	Relay (... Calculated Property
IE	8.42	eV	Relay (... Calculated Property
log10WS	-4.04		Relay (... Calculated Property
logPoct/wat	4.181		Crippen Calculated Property
McVol	280.550	ml/mol	McGowan Calculated Property
Pc	1346.69	kPa	Joback Calculated Property
Inp	[2159.00; 2159.00]
Inp	2159.00		NIST
Inp	2159.00		NIST
Tboil	598.07	K	Relay (... Calculated Property
Tc	776.11	K	Relay (... Calculated Property
Tfus	263.73	K	Relay (... Calculated Property
Vc	0.999	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[835.34; 921.82]	J/mol×K	[799.30; 996.22]
Cp,gas	835.34	J/mol×K	799.30	Joback Calculated Property
Cp,gas	852.16	J/mol×K	832.12	Joback Calculated Property
Cp,gas	867.98	J/mol×K	864.94	Joback Calculated Property
Cp,gas	882.83	J/mol×K	897.76	Joback Calculated Property
Cp,gas	896.74	J/mol×K	930.58	Joback Calculated Property
Cp,gas	909.73	J/mol×K	963.40	Joback Calculated Property
Cp,gas	921.82	J/mol×K	996.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl non-5-yn-3-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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