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]
T(K) Ideal gas heat capacity (J/mol×K) 1710 1720 1730 1740 1750 1760 1770 1780 1200 1300 1400
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]
T(K) Dynamic viscosity (Pa×s) 0 2.00e-5 4.00e-5 6.00e-5 8.00e-5 1.00e-4 1.20e-4 800 1000
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

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.