Chemical Properties of Diallyl pimelate

InChI

InChI=1S/C13H20O4/c1-3-10-16-12(14)8-6-5-7-9-13(15)17-11-4-2/h3-4H,1-2,5-11H2

InChI Key

SQBBIIARQXLCHP-UHFFFAOYSA-N

Formula

C13H20O4

SMILES

C=CCOC(=O)CCCCCC(=O)OCC=C

Molecular Weight¹

240.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-729.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.44	kJ/mol	Joback Calculated Property
ΔvapH°	77.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-2.66		Relay (1.0) Calculated Property
logPoct/wat	2.395		Crippen Calculated Property
McVol	200.310	ml/mol	McGowan Calculated Property
Pc	1906.90	kPa	Joback Calculated Property
Inp	[1610.00; 1610.00]
Inp	1610.00		NIST
Inp	1610.00		NIST
Tboil	561.48	K	Relay (1.0) Calculated Property
Tc	722.29	K	Relay (1.0) Calculated Property
Tfus	251.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[523.47; 597.73]	J/mol×K	[642.78; 824.22]
Cp,gas	523.47	J/mol×K	642.78	Joback Calculated Property
Cp,gas	537.50	J/mol×K	673.02	Joback Calculated Property
Cp,gas	550.86	J/mol×K	703.26	Joback Calculated Property
Cp,gas	563.55	J/mol×K	733.50	Joback Calculated Property
Cp,gas	575.59	J/mol×K	763.74	Joback Calculated Property
Cp,gas	586.98	J/mol×K	793.98	Joback Calculated Property
Cp,gas	597.73	J/mol×K	824.22	Joback Calculated Property
η	[0.0001482; 0.0015496]	Pa×s	[377.07; 642.78]
η	0.0015496	Pa×s	377.07	Joback Calculated Property
η	0.0008532	Pa×s	421.36	Joback Calculated Property
η	0.0005263	Pa×s	465.64	Joback Calculated Property
η	0.0003530	Pa×s	509.93	Joback Calculated Property
η	0.0002524	Pa×s	554.21	Joback Calculated Property
η	0.0001897	Pa×s	598.50	Joback Calculated Property
η	0.0001482	Pa×s	642.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diallyl pimelate.

Sources

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

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