Chemical Properties of 3-(Octanoyloxy)propane-1,2-diyl bis(decanoate)

InChI

InChI=1S/C31H58O6/c1-4-7-10-13-15-18-21-24-30(33)36-27-28(26-35-29(32)23-20-17-12-9-6-3)37-31(34)25-22-19-16-14-11-8-5-2/h28H,4-27H2,1-3H3

InChI Key

KHOXIGZKRZJQTF-UHFFFAOYSA-N

Formula

C31H58O6

SMILES

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

Molecular Weight¹

526.80

• 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	-1593.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	85.63	kJ/mol	Joback Calculated Property
ΔvapH°	149.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.70	eV	Relay (1.0) Calculated Property
log10WS	-7.74		Relay (1.0) Calculated Property
logPoct/wat	8.627		Crippen Calculated Property
McVol	469.970	ml/mol	McGowan Calculated Property
Pc	574.80	kPa	Joback Calculated Property
Inp	[3348.10; 3348.10]
Inp	3348.10		NIST
Inp	3348.10		NIST
Tboil	696.92	K	Relay (1.0) Calculated Property
Tc	862.24	K	Relay (1.0) Calculated Property
Tfus	297.97	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	[711.81; 1643.51]	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			4.92540e+01
Coefficient B			2.79036e+00
Coefficient C			-1.38200e-03
Coefficient D			1.85900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	711.81	J/mol×K	273.00	Calculated Property
Cp,gas	871.68	J/mol×K	353.78	Calculated Property
Cp,gas	1016.10	J/mol×K	434.56	Calculated Property
Cp,gas	1145.65	J/mol×K	515.33	Calculated Property
Cp,gas	1260.91	J/mol×K	596.11	Calculated Property
Cp,gas	1362.47	J/mol×K	676.89	Calculated Property
Cp,gas	1450.92	J/mol×K	757.67	Calculated Property
Cp,gas	1526.86	J/mol×K	838.44	Calculated Property
Cp,gas	1590.86	J/mol×K	919.22	Calculated Property
Cp,gas	1643.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001976; 0.0000063]	Pa×s	[551.12; 963.99]	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			-1.65792e+01
Coefficient B			4.43638e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			551.12
Temperature range, max.			963.99
η	0.0001976	Pa×s	551.12	Calculated Property
η	0.0001064	Pa×s	596.99	Calculated Property
η	0.0000626	Pa×s	642.87	Calculated Property
η	0.0000396	Pa×s	688.74	Calculated Property
η	0.0000265	Pa×s	734.62	Calculated Property
η	0.0000185	Pa×s	780.49	Calculated Property
η	0.0000135	Pa×s	826.36	Calculated Property
η	0.0000102	Pa×s	872.24	Calculated Property
η	0.0000079	Pa×s	918.11	Calculated Property
η	0.0000063	Pa×s	963.99	Calculated Property

Similar Compounds

Find more compounds similar to 3-(Octanoyloxy)propane-1,2-diyl bis(decanoate).

Sources

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

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