Chemical Properties of Glutaric acid, 2-methylpent-3-yl 4-cyanophenyl ester

InChI

InChI=1S/C18H23NO4/c1-4-16(13(2)3)23-18(21)7-5-6-17(20)22-15-10-8-14(12-19)9-11-15/h8-11,13,16H,4-7H2,1-3H3

InChI Key

JUTBBSJJLOTPBH-UHFFFAOYSA-N

Formula

C18H23NO4

SMILES

CCC(OC(=O)CCCC(=O)Oc1ccc(C#N)cc1)C(C)C

Molecular Weight¹

317.38

• 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°	-136.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-525.07	kJ/mol	Joback Calculated Property
ΔfusH°	36.06	kJ/mol	Joback Calculated Property
ΔvapH°	86.61	kJ/mol	Joback Calculated Property
log10WS	-4.64		Crippen Calculated Property
logPoct/wat	3.612		Crippen Calculated Property
McVol	256.980	ml/mol	McGowan Calculated Property
Pc	1541.49	kPa	Joback Calculated Property
Inp	[2403.00; 2403.00]
Inp	2403.00		NIST
Inp	2403.00		NIST
Tboil	896.68	K	Joback Calculated Property
Tc	1114.66	K	Joback Calculated Property
Tfus	510.87	K	Joback Calculated Property
Vc	0.998	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[785.98; 844.91]	J/mol×K	[896.68; 1114.66]
Cp,gas	785.98	J/mol×K	896.68	Joback Calculated Property
Cp,gas	798.66	J/mol×K	933.01	Joback Calculated Property
Cp,gas	810.18	J/mol×K	969.34	Joback Calculated Property
Cp,gas	820.54	J/mol×K	1005.67	Joback Calculated Property
Cp,gas	829.77	J/mol×K	1042.00	Joback Calculated Property
Cp,gas	837.88	J/mol×K	1078.33	Joback Calculated Property
Cp,gas	844.91	J/mol×K	1114.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 4-cyanophenyl ester.

Sources

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

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