Chemical Properties of propyl docosanoate (CAS 26718-94-5)

InChI

InChI=1S/C25H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26)27-24-4-2/h3-24H2,1-2H3

InChI Key

OKYLPPWXDVPDBZ-UHFFFAOYSA-N

Formula

C25H50O2

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC

Molecular Weight¹

382.66

CAS

26718-94-5

Other Names

• Propyl behenate

• 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	1.1482		Relay (1.0) Calculated Property
ΔfH°gas	-878.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.29	kJ/mol	Joback Calculated Property
ΔvapH°	119.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-8.43		Relay (1.0) Calculated Property
logPoct/wat	8.762		Crippen Calculated Property
McVol	370.550	ml/mol	McGowan Calculated Property
Pc	783.75	kPa	Joback Calculated Property
Inp	[2675.85; 2679.00]
Inp	2675.85		NIST
Inp	2679.00		NIST
Inp	2675.85		NIST
Tboil	626.64	K	Relay (1.0) Calculated Property
Tc	808.50	K	Relay (1.0) Calculated Property
Tfus	316.79	K	Relay (1.0) Calculated Property
Vc	1.462	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	[1220.77; 1336.53]	J/mol×K	[847.69; 1038.15]
Cp,gas	1220.77	J/mol×K	847.69	Joback Calculated Property
Cp,gas	1243.05	J/mol×K	879.43	Joback Calculated Property
Cp,gas	1264.07	J/mol×K	911.18	Joback Calculated Property
Cp,gas	1283.89	J/mol×K	942.92	Joback Calculated Property
Cp,gas	1302.54	J/mol×K	974.66	Joback Calculated Property
Cp,gas	1320.07	J/mol×K	1006.41	Joback Calculated Property
Cp,gas	1336.53	J/mol×K	1038.15	Joback Calculated Property
η	[0.0000361; 0.0009384]	Pa×s	[443.67; 847.69]
η	0.0009384	Pa×s	443.67	Joback Calculated Property
η	0.0003813	Pa×s	511.01	Joback Calculated Property
η	0.0001910	Pa×s	578.34	Joback Calculated Property
η	0.0001106	Pa×s	645.68	Joback Calculated Property
η	0.0000710	Pa×s	713.02	Joback Calculated Property
η	0.0000492	Pa×s	780.35	Joback Calculated Property
η	0.0000361	Pa×s	847.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to propyl docosanoate.

Sources

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

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