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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1686.46; 1756.51]	J/mol×K	[1083.10; 1377.12]
Cp,gas	1686.46	J/mol×K	1083.10	Joback Calculated Property
Cp,gas	1706.71	J/mol×K	1132.10	Joback Calculated Property
Cp,gas	1723.36	J/mol×K	1181.11	Joback Calculated Property
Cp,gas	1736.53	J/mol×K	1230.11	Joback Calculated Property
Cp,gas	1746.36	J/mol×K	1279.11	Joback Calculated Property
Cp,gas	1752.98	J/mol×K	1328.12	Joback Calculated Property
Cp,gas	1756.51	J/mol×K	1377.12	Joback Calculated Property
η	[0.0000038; 0.0001976]	Pa×s	[551.12; 1083.10]
η	0.0001976	Pa×s	551.12	Joback Calculated Property
η	0.0000647	Pa×s	639.78	Joback Calculated Property
η	0.0000278	Pa×s	728.45	Joback Calculated Property
η	0.0000144	Pa×s	817.11	Joback Calculated Property
η	0.0000085	Pa×s	905.77	Joback Calculated Property
η	0.0000055	Pa×s	994.44	Joback Calculated Property
η	0.0000038	Pa×s	1083.10	Joback 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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