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

InChI

InChI=1S/C18H24O4/c1-13(2)11-12-21-17(19)9-6-10-18(20)22-16-8-5-7-14(3)15(16)4/h5,7-8,11H,6,9-10,12H2,1-4H3

InChI Key

YZFQVHVDBCHZKC-UHFFFAOYSA-N

Formula

C18H24O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

304.38

• 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°	-202.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-583.43	kJ/mol	Joback Calculated Property
ΔfusH°	40.10	kJ/mol	Joback Calculated Property
ΔvapH°	77.61	kJ/mol	Joback Calculated Property
log10WS	-4.80		Crippen Calculated Property
logPoct/wat	3.889		Crippen Calculated Property
McVol	251.300	ml/mol	McGowan Calculated Property
Pc	1605.13	kPa	Joback Calculated Property
Inp	[2284.00; 2284.00]
Inp	2284.00		NIST
Inp	2284.00		NIST
Tboil	804.50	K	Joback Calculated Property
Tc	1012.38	K	Joback Calculated Property
Tfus	469.36	K	Joback Calculated Property
Vc	0.965	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[734.52; 811.15]	J/mol×K	[804.50; 1012.38]
Cp,gas	734.52	J/mol×K	804.50	Joback Calculated Property
Cp,gas	749.77	J/mol×K	839.15	Joback Calculated Property
Cp,gas	763.99	J/mol×K	873.79	Joback Calculated Property
Cp,gas	777.22	J/mol×K	908.44	Joback Calculated Property
Cp,gas	789.47	J/mol×K	943.08	Joback Calculated Property
Cp,gas	800.77	J/mol×K	977.73	Joback Calculated Property
Cp,gas	811.15	J/mol×K	1012.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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