Chemical Properties of Octanoic acid, hexadecyl ester (CAS 29710-31-4)

InChI

InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-26-24(25)22-20-18-8-6-4-2/h3-23H2,1-2H3

InChI Key

DWMMZQMXUWUJME-UHFFFAOYSA-N

Formula

C24H48O2

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCC

Molecular Weight¹

368.64

CAS

29710-31-4

Other Names

• hexadecyl octanoate
• hexadecyl caprylate

• 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	1.1159		Relay (1.0) Calculated Property
ΔfH°gas	-854.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.28	kJ/mol	Joback Calculated Property
ΔvapH°	115.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-8.04		Relay (1.0) Calculated Property
logPoct/wat	8.371		Crippen Calculated Property
McVol	356.460	ml/mol	McGowan Calculated Property
Pc	808.45	kPa	Joback Calculated Property
Inp	[2562.00; 2576.30]
Inp	2576.30		NIST
Inp	2562.00		NIST
Inp	2576.30		NIST
Inp	2562.00		NIST
Tboil	619.67	K	Relay (1.0) Calculated Property
Tc	807.33	K	Relay (1.0) Calculated Property
Tfus	301.08	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	[1146.31; 1259.48]	J/mol×K	[806.94; 988.03]
Cp,gas	1146.31	J/mol×K	806.94	Joback Calculated Property
Cp,gas	1167.98	J/mol×K	837.12	Joback Calculated Property
Cp,gas	1188.47	J/mol×K	867.30	Joback Calculated Property
Cp,gas	1207.83	J/mol×K	897.48	Joback Calculated Property
Cp,gas	1226.10	J/mol×K	927.66	Joback Calculated Property
Cp,gas	1243.30	J/mol×K	957.84	Joback Calculated Property
Cp,gas	1259.48	J/mol×K	988.03	Joback Calculated Property
η	[0.0000369; 0.0014701]	Pa×s	[402.57; 806.94]
η	0.0014701	Pa×s	402.57	Joback Calculated Property
η	0.0005122	Pa×s	469.97	Joback Calculated Property
η	0.0002325	Pa×s	537.36	Joback Calculated Property
η	0.0001258	Pa×s	604.75	Joback Calculated Property
η	0.0000770	Pa×s	672.15	Joback Calculated Property
η	0.0000516	Pa×s	739.55	Joback Calculated Property
η	0.0000369	Pa×s	806.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octanoic acid, hexadecyl ester.

Sources

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

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