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

484.72

• 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	-1534.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	77.86	kJ/mol	Joback Calculated Property
ΔvapH°	136.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-6.82		Relay (1.0) Calculated Property
logPoct/wat	7.456		Crippen Calculated Property
McVol	427.700	ml/mol	McGowan Calculated Property
Pc	663.23	kPa	Joback Calculated Property
Inp	[3042.60; 3042.60]
Inp	3042.60		NIST
Inp	3042.60		NIST
Tboil	677.17	K	Relay (1.0) Calculated Property
Tc	840.19	K	Relay (1.0) Calculated Property
Tfus	294.48	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[648.16; 1488.74]	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			5.19810e+01
Coefficient B			2.50536e+00
Coefficient C			-1.21880e-03
Coefficient D			1.50200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	648.16	J/mol×K	273.00	Calculated Property
Cp,gas	792.43	J/mol×K	353.78	Calculated Property
Cp,gas	922.87	J/mol×K	434.56	Calculated Property
Cp,gas	1039.96	J/mol×K	515.33	Calculated Property
Cp,gas	1144.17	J/mol×K	596.11	Calculated Property
Cp,gas	1235.99	J/mol×K	676.89	Calculated Property
Cp,gas	1315.87	J/mol×K	757.67	Calculated Property
Cp,gas	1384.31	J/mol×K	838.44	Calculated Property
Cp,gas	1441.78	J/mol×K	919.22	Calculated Property
Cp,gas	1488.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003237; 0.0000116]	Pa×s	[517.31; 884.31]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.60654e+01
Coefficient B			4.15390e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			517.31
Temperature range, max.			884.31
η	0.0003237	Pa×s	517.31	Calculated Property
η	0.0001800	Pa×s	558.09	Calculated Property
η	0.0001085	Pa×s	598.87	Calculated Property
η	0.0000697	Pa×s	639.64	Calculated Property
η	0.0000472	Pa×s	680.42	Calculated Property
η	0.0000334	Pa×s	721.20	Calculated Property
η	0.0000246	Pa×s	761.98	Calculated Property
η	0.0000186	Pa×s	802.75	Calculated Property
η	0.0000145	Pa×s	843.53	Calculated Property
η	0.0000116	Pa×s	884.31	Calculated Property

Similar Compounds

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.