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

InChI

InChI=1S/C19H26O4/c1-16(2)13-15-23-19(21)12-6-11-18(20)22-14-7-10-17-8-4-3-5-9-17/h3-5,8-9,13H,6-7,10-12,14-15H2,1-2H3

InChI Key

XDTLPXPWTZYYMK-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OCCCc1ccccc1

Molecular Weight¹

318.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.64	kJ/mol	Joback Calculated Property
ΔvapH°	101.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-4.19		Relay (1.0) Calculated Property
logPoct/wat	3.842		Crippen Calculated Property
McVol	265.390	ml/mol	McGowan Calculated Property
Pc	1430.46	kPa	Joback Calculated Property
Inp	[2387.00; 2387.00]
Inp	2387.00		NIST
Inp	2387.00		NIST
Tboil	646.13	K	Relay (1.0) Calculated Property
Tfus	285.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.11; 866.40]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.13430e+01
Coefficient B			1.64024e+00
Coefficient C			-9.37900e-04
Coefficient D			1.75400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	370.11	J/mol×K	273.00	Calculated Property
Cp,gas	459.32	J/mol×K	353.78	Calculated Property
Cp,gas	538.71	J/mol×K	434.56	Calculated Property
Cp,gas	608.86	J/mol×K	515.33	Calculated Property
Cp,gas	670.30	J/mol×K	596.11	Calculated Property
Cp,gas	723.59	J/mol×K	676.89	Calculated Property
Cp,gas	769.29	J/mol×K	757.67	Calculated Property
Cp,gas	807.96	J/mol×K	838.44	Calculated Property
Cp,gas	840.14	J/mol×K	919.22	Calculated Property
Cp,gas	866.40	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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