Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 3-octyl ester

InChI

InChI=1S/C18H32O4/c1-5-7-8-10-16(6-2)22-18(20)12-9-11-17(19)21-14-13-15(3)4/h13,16H,5-12,14H2,1-4H3

InChI Key

OGRURBAORLKAHA-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CCCCCC(CC)OC(=O)CCCC(=O)OCC=C(C)C

Molecular Weight¹

312.44

• 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°	-297.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-802.30	kJ/mol	Joback Calculated Property
ΔfusH°	43.32	kJ/mol	Joback Calculated Property
ΔvapH°	73.62	kJ/mol	Joback Calculated Property
log10WS	-5.05		Crippen Calculated Property
logPoct/wat	4.568		Crippen Calculated Property
McVol	275.060	ml/mol	McGowan Calculated Property
Pc	1285.59	kPa	Joback Calculated Property
Inp	[2004.00; 2004.00]
Inp	2004.00		NIST
Inp	2004.00		NIST
Tboil	767.42	K	Joback Calculated Property
Tc	952.49	K	Joback Calculated Property
Tfus	402.90	K	Joback Calculated Property
Vc	1.067	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[825.34; 914.70]	J/mol×K	[767.42; 952.49]
Cp,gas	825.34	J/mol×K	767.42	Joback Calculated Property
Cp,gas	842.48	J/mol×K	798.27	Joback Calculated Property
Cp,gas	858.70	J/mol×K	829.11	Joback Calculated Property
Cp,gas	874.00	J/mol×K	859.96	Joback Calculated Property
Cp,gas	888.43	J/mol×K	890.80	Joback Calculated Property
Cp,gas	901.98	J/mol×K	921.65	Joback Calculated Property
Cp,gas	914.70	J/mol×K	952.49	Joback Calculated Property

Similar Compounds

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

Sources

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

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