Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C18H32O4/c1-14(2)10-11-21-16(19)8-7-9-17(20)22-13-15(3)12-18(4,5)6/h10,15H,7-9,11-13H2,1-6H3

InChI Key

PMCWOUNJQXWEOH-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

312.44

• 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	0.7705		Relay (1.0) Calculated Property
ΔfG°	-295.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-980.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.90	kJ/mol	Joback Calculated Property
ΔvapH°	81.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	4.282		Crippen Calculated Property
McVol	275.060	ml/mol	McGowan Calculated Property
Pc	1303.29	kPa	Joback Calculated Property
Inp	[1997.00; 1997.00]
Inp	1997.00		NIST
Inp	1997.00		NIST
Tboil	595.05	K	Relay (1.0) Calculated Property
Tc	755.46	K	Relay (1.0) Calculated Property
Tfus	267.83	K	Relay (1.0) Calculated Property
Vc	0.997	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[826.94; 917.14]	J/mol×K	[764.19; 954.49]
Cp,gas	826.94	J/mol×K	764.19	Joback Calculated Property
Cp,gas	844.31	J/mol×K	795.91	Joback Calculated Property
Cp,gas	860.69	J/mol×K	827.62	Joback Calculated Property
Cp,gas	876.13	J/mol×K	859.34	Joback Calculated Property
Cp,gas	890.66	J/mol×K	891.06	Joback Calculated Property
Cp,gas	904.32	J/mol×K	922.77	Joback Calculated Property
Cp,gas	917.14	J/mol×K	954.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2,4,4-trimethylpentyl ester.

Sources

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

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