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_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°	-174.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-581.13	kJ/mol	Joback Calculated Property
ΔfusH°	43.47	kJ/mol	Joback Calculated Property
ΔvapH°	78.51	kJ/mol	Joback Calculated Property
log10WS	-4.46		Crippen Calculated Property
logPoct/wat	3.842		Crippen Calculated Property
McVol	265.390	ml/mol	McGowan Calculated Property
Pc	1523.50	kPa	Joback Calculated Property
Inp	[2387.00; 2387.00]
Inp	2387.00		NIST
Inp	2387.00		NIST
Tboil	817.42	K	Joback Calculated Property
Tc	1022.73	K	Joback Calculated Property
Tfus	455.59	K	Joback Calculated Property
Vc	1.020	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[793.48; 872.25]	J/mol×K	[817.42; 1022.73]
Cp,gas	793.48	J/mol×K	817.42	Joback Calculated Property
Cp,gas	809.13	J/mol×K	851.64	Joback Calculated Property
Cp,gas	823.73	J/mol×K	885.86	Joback Calculated Property
Cp,gas	837.30	J/mol×K	920.08	Joback Calculated Property
Cp,gas	849.88	J/mol×K	954.30	Joback Calculated Property
Cp,gas	861.52	J/mol×K	988.51	Joback Calculated Property
Cp,gas	872.25	J/mol×K	1022.73	Joback Calculated Property

Similar Compounds

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

Sources

• 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.