Chemical Properties of 2-(Octanoyloxy)propane-1,3-diyl bis(decanoate) (CAS 33368-86-4)

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

526.79

CAS

33368-86-4

• 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°	-494.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1422.85	kJ/mol	Joback Calculated Property
ΔfusH°	80.88	kJ/mol	Joback Calculated Property
ΔvapH°	111.68	kJ/mol	Joback Calculated Property
log10WS	-9.50		Crippen 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	1137.11	K	Joback Calculated Property
Tc	1459.53	K	Joback Calculated Property
Tfus	640.61	K	Joback Calculated Property
Vc	1.837	m3/kmol	Joback Calculated Property

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

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

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