Chemical Properties of Butyl behenoate (CAS 26718-96-7)

InChI

InChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h3-25H2,1-2H3

InChI Key

SLUTZBDOCDXRSH-UHFFFAOYSA-N

Formula

C26H52O2

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC

Molecular Weight¹

396.69

CAS

26718-96-7

Other Names

• butyl docosanoate

• 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	1.1850		Relay (1.0) Calculated Property
ΔfH°gas	-897.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.88	kJ/mol	Joback Calculated Property
ΔvapH°	124.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-8.62		Relay (1.0) Calculated Property
logPoct/wat	9.152		Crippen Calculated Property
McVol	384.640	ml/mol	McGowan Calculated Property
Pc	743.26	kPa	Joback Calculated Property
Inp	[2769.00; 2771.85]
Inp	2771.85		NIST
Inp	2769.00		NIST
Tboil	631.54	K	Relay (1.0) Calculated Property
Tc	815.88	K	Relay (1.0) Calculated Property
Tfus	310.96	K	Relay (1.0) Calculated Property
Vc	1.517	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	[1285.37; 1403.78]	J/mol×K	[870.57; 1067.44]
Cp,gas	1285.37	J/mol×K	870.57	Joback Calculated Property
Cp,gas	1308.31	J/mol×K	903.38	Joback Calculated Property
Cp,gas	1329.90	J/mol×K	936.19	Joback Calculated Property
Cp,gas	1350.19	J/mol×K	969.01	Joback Calculated Property
Cp,gas	1369.24	J/mol×K	1001.82	Joback Calculated Property
Cp,gas	1387.08	J/mol×K	1034.63	Joback Calculated Property
Cp,gas	1403.78	J/mol×K	1067.44	Joback Calculated Property
η	[0.0000311; 0.0008279]	Pa×s	[454.94; 870.57]
η	0.0008279	Pa×s	454.94	Joback Calculated Property
η	0.0003338	Pa×s	524.21	Joback Calculated Property
η	0.0001664	Pa×s	593.48	Joback Calculated Property
η	0.0000959	Pa×s	662.75	Joback Calculated Property
η	0.0000614	Pa×s	732.03	Joback Calculated Property
η	0.0000424	Pa×s	801.30	Joback Calculated Property
η	0.0000311	Pa×s	870.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyl behenoate.

Sources

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

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