Chemical Properties of 2-(Decanoyloxy)propane-1,3-diyl dioctanoate (CAS 33368-87-5)

InChI

InChI=1S/C29H54O6/c1-4-7-10-13-14-17-20-23-29(32)35-26(24-33-27(30)21-18-15-11-8-5-2)25-34-28(31)22-19-16-12-9-6-3/h26H,4-25H2,1-3H3

InChI Key

GVUCZFUFLQMFID-UHFFFAOYSA-N

Formula

C29H54O6

SMILES

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

Molecular Weight¹

498.74

CAS

33368-87-5

• 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°	-510.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1381.57	kJ/mol	Joback Calculated Property
ΔfusH°	75.70	kJ/mol	Joback Calculated Property
ΔvapH°	107.23	kJ/mol	Joback Calculated Property
log10WS	-8.66		Crippen Calculated Property
logPoct/wat	7.846		Crippen Calculated Property
McVol	441.790	ml/mol	McGowan Calculated Property
Pc	672.55	kPa	Joback Calculated Property
Inp	[3137.50; 3137.50]
Inp	3137.50		NIST
Inp	3137.50		NIST
Tboil	1091.35	K	Joback Calculated Property
Tc	1377.37	K	Joback Calculated Property
Tfus	618.07	K	Joback Calculated Property
Vc	1.726	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1585.55; 1659.73]	J/mol×K	[1091.35; 1377.37]
Cp,gas	1585.55	J/mol×K	1091.35	Joback Calculated Property
Cp,gas	1605.37	J/mol×K	1139.02	Joback Calculated Property
Cp,gas	1622.08	J/mol×K	1186.69	Joback Calculated Property
Cp,gas	1635.78	J/mol×K	1234.36	Joback Calculated Property
Cp,gas	1646.56	J/mol×K	1282.03	Joback Calculated Property
Cp,gas	1654.52	J/mol×K	1329.70	Joback Calculated Property
Cp,gas	1659.73	J/mol×K	1377.37	Joback Calculated Property
η	[0.0000082; 0.0001543]	Pa×s	[618.07; 1091.35]
η	0.0001543	Pa×s	618.07	Joback Calculated Property
η	0.0000717	Pa×s	696.95	Joback Calculated Property
η	0.0000389	Pa×s	775.83	Joback Calculated Property
η	0.0000237	Pa×s	854.71	Joback Calculated Property
η	0.0000157	Pa×s	933.59	Joback Calculated Property
η	0.0000110	Pa×s	1012.47	Joback Calculated Property
η	0.0000082	Pa×s	1091.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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