Chemical Properties of 2-Hydroxy-3-(octanoyloxy)propyl decanoate

InChI

InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-18-19(22)17-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3

InChI Key

AMRVOUCEFGMNBS-UHFFFAOYSA-N

Formula

C21H40O5

SMILES

CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC

Molecular Weight¹

372.55

Other Names

• 2-Hydroxy-3-(octanoyloxy)propyl decanoate

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2240		Relay (1.0) Calculated Property
ΔfH°gas	-1277.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.45	kJ/mol	Joback Calculated Property
ΔvapH°	121.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-4.93		Relay (1.0) Calculated Property
logPoct/wat	4.935		Crippen Calculated Property
McVol	327.500	ml/mol	McGowan Calculated Property
Pc	1024.66	kPa	Joback Calculated Property
Inp	[2572.40; 2572.40]
Inp	2572.40		NIST
Inp	2572.40		NIST
Tboil	645.17	K	Relay (1.0) Calculated Property
Tc	823.09	K	Relay (1.0) Calculated Property
Tfus	313.09	K	Relay (1.0) Calculated Property
Vc	1.270	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1085.76; 1169.84]	J/mol×K	[888.26; 1089.09]
Cp,gas	1085.76	J/mol×K	888.26	Joback Calculated Property
Cp,gas	1103.00	J/mol×K	921.73	Joback Calculated Property
Cp,gas	1118.91	J/mol×K	955.20	Joback Calculated Property
Cp,gas	1133.51	J/mol×K	988.68	Joback Calculated Property
Cp,gas	1146.85	J/mol×K	1022.15	Joback Calculated Property
Cp,gas	1158.95	J/mol×K	1055.62	Joback Calculated Property
Cp,gas	1169.84	J/mol×K	1089.09	Joback Calculated Property
η	[0.0000047; 0.0007877]	Pa×s	[456.91; 888.26]
η	0.0007877	Pa×s	456.91	Joback Calculated Property
η	0.0001875	Pa×s	528.80	Joback Calculated Property
η	0.0000629	Pa×s	600.69	Joback Calculated Property
η	0.0000267	Pa×s	672.59	Joback Calculated Property
η	0.0000133	Pa×s	744.48	Joback Calculated Property
η	0.0000075	Pa×s	816.37	Joback Calculated Property
η	0.0000047	Pa×s	888.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-3-(octanoyloxy)propyl decanoate.

Sources

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

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