Chemical Properties of 3-(Benzoyloxy)propane-1,2-diyl dioctanoate

InChI

InChI=1S/C26H40O6/c1-3-5-7-9-14-18-24(27)30-20-23(32-25(28)19-15-10-8-6-4-2)21-31-26(29)22-16-12-11-13-17-22/h11-13,16-17,23H,3-10,14-15,18-21H2,1-2H3

InChI Key

CAVVDWNDQLBBCW-UHFFFAOYSA-N

Formula

C26H40O6

SMILES

CCCCCCCC(=O)OCC(COC(=O)c1ccccc1)OC(=O)CCCCCCC

Molecular Weight¹

448.59

• 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	1.2129		Relay (1.0) Calculated Property
ΔfH°gas	-1237.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.72	kJ/mol	Joback Calculated Property
ΔvapH°	133.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-6.20		Relay (1.0) Calculated Property
logPoct/wat	6.019		Crippen Calculated Property
McVol	375.760	ml/mol	McGowan Calculated Property
Pc	885.77	kPa	Joback Calculated Property
Inp	[3016.40; 3016.40]
Inp	3016.40		NIST
Inp	3016.40		NIST
Tboil	694.90	K	Relay (1.0) Calculated Property
Tc	878.16	K	Relay (1.0) Calculated Property
Tfus	284.73	K	Relay (1.0) Calculated Property
Vc	1.408	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	[1265.13; 1325.57]	J/mol×K	[995.38; 1219.66]
Cp,gas	1265.13	J/mol×K	995.38	Joback Calculated Property
Cp,gas	1279.73	J/mol×K	1032.76	Joback Calculated Property
Cp,gas	1292.45	J/mol×K	1070.14	Joback Calculated Property
Cp,gas	1303.35	J/mol×K	1107.52	Joback Calculated Property
Cp,gas	1312.47	J/mol×K	1144.90	Joback Calculated Property
Cp,gas	1319.86	J/mol×K	1182.28	Joback Calculated Property
Cp,gas	1325.57	J/mol×K	1219.66	Joback Calculated Property
η	[0.0000091; 0.0003505]	Pa×s	[521.19; 995.38]
η	0.0003505	Pa×s	521.19	Joback Calculated Property
η	0.0001276	Pa×s	600.22	Joback Calculated Property
η	0.0000588	Pa×s	679.25	Joback Calculated Property
η	0.0000318	Pa×s	758.28	Joback Calculated Property
η	0.0000193	Pa×s	837.32	Joback Calculated Property
η	0.0000128	Pa×s	916.35	Joback Calculated Property
η	0.0000091	Pa×s	995.38	Joback Calculated Property

Similar Compounds

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.