Chemical Properties of 2-(Decanoyloxy)-3-(octanoyloxy)propyl benzoate

InChI

InChI=1S/C28H44O6/c1-3-5-7-9-10-12-17-21-27(30)34-25(22-32-26(29)20-16-11-8-6-4-2)23-33-28(31)24-18-14-13-15-19-24/h13-15,18-19,25H,3-12,16-17,20-23H2,1-2H3

InChI Key

UHMVKVMCXUDQLN-UHFFFAOYSA-N

Formula

C28H44O6

SMILES

CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)c1ccccc1

Molecular Weight¹

476.65

• 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	1.2852		Relay (1.0) Calculated Property
ΔfH°gas	-1278.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.90	kJ/mol	Joback Calculated Property
ΔvapH°	141.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-6.77		Relay (1.0) Calculated Property
logPoct/wat	6.800		Crippen Calculated Property
McVol	403.940	ml/mol	McGowan Calculated Property
Pc	792.60	kPa	Joback Calculated Property
Inp	[3207.50; 3207.50]
Inp	3207.50		NIST
Inp	3207.50		NIST
Tboil	708.41	K	Relay (1.0) Calculated Property
Tc	891.26	K	Relay (1.0) Calculated Property
Tfus	289.52	K	Relay (1.0) Calculated Property
Vc	1.516	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	[1387.66; 1444.49]	J/mol×K	[1041.14; 1281.09]
Cp,gas	1387.66	J/mol×K	1041.14	Joback Calculated Property
Cp,gas	1402.35	J/mol×K	1081.13	Joback Calculated Property
Cp,gas	1414.86	J/mol×K	1121.12	Joback Calculated Property
Cp,gas	1425.26	J/mol×K	1161.12	Joback Calculated Property
Cp,gas	1433.62	J/mol×K	1201.11	Joback Calculated Property
Cp,gas	1440.01	J/mol×K	1241.10	Joback Calculated Property
Cp,gas	1444.49	J/mol×K	1281.09	Joback Calculated Property
η	[0.0000065; 0.0002573]	Pa×s	[543.73; 1041.14]
η	0.0002573	Pa×s	543.73	Joback Calculated Property
η	0.0000929	Pa×s	626.63	Joback Calculated Property
η	0.0000426	Pa×s	709.53	Joback Calculated Property
η	0.0000230	Pa×s	792.43	Joback Calculated Property
η	0.0000139	Pa×s	875.34	Joback Calculated Property
η	0.0000092	Pa×s	958.24	Joback Calculated Property
η	0.0000065	Pa×s	1041.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(Decanoyloxy)-3-(octanoyloxy)propyl benzoate.

Sources

• Cheméo Relay (1.0)
• 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.
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