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

InChI

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

InChI Key

CYHAOTQWWRWBAF-UHFFFAOYSA-N

Formula

C31H58O6

SMILES

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

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°	80.88	kJ/mol	Joback Calculated Property
ΔvapH°	146.57	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	610.27	kPa	Joback Calculated Property
Inp	[3309.70; 3309.70]
Inp	3309.70		NIST
Inp	3309.70		NIST
Tboil	696.92	K	Relay (1.0) Calculated Property
Tc	856.10	K	Relay (1.0) Calculated Property
Tfus	307.11	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	[1713.18; 1780.30]	J/mol×K	[1137.11; 1459.53]
Cp,gas	1713.18	J/mol×K	1137.11	Joback Calculated Property
Cp,gas	1733.74	J/mol×K	1190.85	Joback Calculated Property
Cp,gas	1750.34	J/mol×K	1244.58	Joback Calculated Property
Cp,gas	1763.15	J/mol×K	1298.32	Joback Calculated Property
Cp,gas	1772.30	J/mol×K	1352.06	Joback Calculated Property
Cp,gas	1777.97	J/mol×K	1405.79	Joback Calculated Property
Cp,gas	1780.30	J/mol×K	1459.53	Joback Calculated Property
η	[0.0000059; 0.0001157]	Pa×s	[640.61; 1137.11]
η	0.0001157	Pa×s	640.61	Joback Calculated Property
η	0.0000530	Pa×s	723.36	Joback Calculated Property
η	0.0000285	Pa×s	806.11	Joback Calculated Property
η	0.0000172	Pa×s	888.86	Joback Calculated Property
η	0.0000113	Pa×s	971.61	Joback Calculated Property
η	0.0000079	Pa×s	1054.36	Joback Calculated Property
η	0.0000059	Pa×s	1137.11	Joback Calculated Property

Similar Compounds

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

Sources

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

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