Chemical Properties of Glutaric acid, but-3-yl-2-yn 1-naphthyl ester

InChI

InChI=1S/C19H18O4/c1-3-14(2)22-18(20)12-7-13-19(21)23-17-11-6-9-15-8-4-5-10-16(15)17/h1,4-6,8-11,14H,7,12-13H2,2H3

InChI Key

NOCVIMGDWCKNBF-UHFFFAOYSA-N

Formula

C19H18O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1cccc2ccccc12

Molecular Weight¹

310.34

• 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°	71.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-222.34	kJ/mol	Joback Calculated Property
ΔfusH°	40.66	kJ/mol	Joback Calculated Property
ΔvapH°	80.25	kJ/mol	Joback Calculated Property
log10WS	-5.29		Crippen Calculated Property
logPoct/wat	3.480		Crippen Calculated Property
McVol	241.630	ml/mol	McGowan Calculated Property
Pc	2005.50	kPa	Joback Calculated Property
Inp	[2469.00; 2469.00]
Inp	2469.00		NIST
Inp	2469.00		NIST
Tboil	827.02	K	Joback Calculated Property
Tc	1054.67	K	Joback Calculated Property
Tfus	551.82	K	Joback Calculated Property
Vc	0.917	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.19; 758.26]	J/mol×K	[827.02; 1054.67]
Cp,gas	691.19	J/mol×K	827.02	Joback Calculated Property
Cp,gas	704.79	J/mol×K	864.96	Joback Calculated Property
Cp,gas	717.35	J/mol×K	902.90	Joback Calculated Property
Cp,gas	728.91	J/mol×K	940.84	Joback Calculated Property
Cp,gas	739.54	J/mol×K	978.78	Joback Calculated Property
Cp,gas	749.30	J/mol×K	1016.72	Joback Calculated Property
Cp,gas	758.26	J/mol×K	1054.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yl-2-yn 1-naphthyl ester.

Sources

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

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