Chemical Properties of 2-(Nonanoyloxy)propane-1,3-diyl dioctanoate

InChI

InChI=1S/C28H52O6/c1-4-7-10-13-16-19-22-28(31)34-25(23-32-26(29)20-17-14-11-8-5-2)24-33-27(30)21-18-15-12-9-6-3/h25H,4-24H2,1-3H3

InChI Key

PVGJWYNUBYUGJV-UHFFFAOYSA-N

Formula

C28H52O6

SMILES

CCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC

Molecular Weight¹

484.71

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-519.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1360.93	kJ/mol	Joback Calculated Property
ΔfusH°	73.11	kJ/mol	Joback Calculated Property
ΔvapH°	105.00	kJ/mol	Joback Calculated Property
log10WS	-8.24		Crippen Calculated Property
logPoct/wat	7.456		Crippen Calculated Property
McVol	427.700	ml/mol	McGowan Calculated Property
Pc	707.33	kPa	Joback Calculated Property
Inp	[3042.60; 3042.60]
Inp	3042.60		NIST
Inp	3042.60		NIST
Tboil	1068.47	K	Joback Calculated Property
Tc	1339.10	K	Joback Calculated Property
Tfus	606.80	K	Joback Calculated Property
Vc	1.669	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1521.90; 1598.43]	J/mol×K	[1068.47; 1339.10]
Cp,gas	1521.90	J/mol×K	1068.47	Joback Calculated Property
Cp,gas	1541.33	J/mol×K	1113.58	Joback Calculated Property
Cp,gas	1557.99	J/mol×K	1158.68	Joback Calculated Property
Cp,gas	1571.96	J/mol×K	1203.79	Joback Calculated Property
Cp,gas	1583.31	J/mol×K	1248.89	Joback Calculated Property
Cp,gas	1592.11	J/mol×K	1294.00	Joback Calculated Property
Cp,gas	1598.43	J/mol×K	1339.10	Joback Calculated Property
η	[0.0000097; 0.0001776]	Pa×s	[606.80; 1068.47]
η	0.0001776	Pa×s	606.80	Joback Calculated Property
η	0.0000832	Pa×s	683.75	Joback Calculated Property
η	0.0000454	Pa×s	760.69	Joback Calculated Property
η	0.0000277	Pa×s	837.63	Joback Calculated Property
η	0.0000184	Pa×s	914.58	Joback Calculated Property
η	0.0000130	Pa×s	991.52	Joback Calculated Property
η	0.0000097	Pa×s	1068.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(Nonanoyloxy)propane-1,3-diyl dioctanoate.

Sources

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

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