Chemical Properties of 1-(Nonanoyloxy)-3-(octanoyloxy)propan-2-yl decanoate

InChI

InChI=1S/C30H56O6/c1-4-7-10-13-15-18-21-24-30(33)36-27(25-34-28(31)22-19-16-12-9-6-3)26-35-29(32)23-20-17-14-11-8-5-2/h27H,4-26H2,1-3H3

InChI Key

PKMKZQZKAMXXQN-UHFFFAOYSA-N

Formula

C30H56O6

SMILES

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

Molecular Weight¹

512.77

• 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	-1573.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	83.04	kJ/mol	Joback Calculated Property
ΔvapH°	145.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	-7.44		Relay (1.0) Calculated Property
logPoct/wat	8.236		Crippen Calculated Property
McVol	455.880	ml/mol	McGowan Calculated Property
Pc	602.21	kPa	Joback Calculated Property
Inp	[3221.50; 3221.50]
Inp	3221.50		NIST
Inp	3221.50		NIST
Tboil	690.38	K	Relay (1.0) Calculated Property
Tc	856.19	K	Relay (1.0) Calculated Property
Tfus	295.85	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	[1622.89; 1696.57]	J/mol×K	[1060.22; 1337.45]
Cp,gas	1622.89	J/mol×K	1060.22	Joback Calculated Property
Cp,gas	1642.84	J/mol×K	1106.42	Joback Calculated Property
Cp,gas	1659.58	J/mol×K	1152.63	Joback Calculated Property
Cp,gas	1673.22	J/mol×K	1198.83	Joback Calculated Property
Cp,gas	1683.86	J/mol×K	1245.04	Joback Calculated Property
Cp,gas	1691.61	J/mol×K	1291.24	Joback Calculated Property
Cp,gas	1696.57	J/mol×K	1337.45	Joback Calculated Property
η	[0.0000045; 0.0002332]	Pa×s	[539.85; 1060.22]
η	0.0002332	Pa×s	539.85	Joback Calculated Property
η	0.0000766	Pa×s	626.58	Joback Calculated Property
η	0.0000330	Pa×s	713.31	Joback Calculated Property
η	0.0000170	Pa×s	800.03	Joback Calculated Property
η	0.0000100	Pa×s	886.76	Joback Calculated Property
η	0.0000065	Pa×s	973.49	Joback Calculated Property
η	0.0000045	Pa×s	1060.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(Nonanoyloxy)-3-(octanoyloxy)propan-2-yl decanoate.

Sources

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

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