Chemical Properties of pentacosyl hexanoate

InChI

InChI=1S/C31H62O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-33-31(32)29-27-6-4-2/h3-30H2,1-2H3

InChI Key

KPIFJVLEGYFLOK-UHFFFAOYSA-N

Formula

C31H62O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC

Molecular Weight¹

466.83

• 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	1.3614		Relay (1.0) Calculated Property
ΔfH°gas	-999.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	80.42	kJ/mol	Joback Calculated Property
ΔvapH°	146.25	kJ/mol	Relay (1.0) Calculated Property
IE	10.02	eV	Relay (1.0) Calculated Property
log10WS	-9.99		Relay (1.0) Calculated Property
logPoct/wat	11.102		Crippen Calculated Property
McVol	455.090	ml/mol	McGowan Calculated Property
Pc	569.87	kPa	Joback Calculated Property
Inp	[3268.87; 3268.87]
Inp	3268.87		NIST
Inp	3268.87		NIST
Tboil	662.69	K	Relay (1.0) Calculated Property
Tc	850.78	K	Relay (1.0) Calculated Property
Tfus	316.84	K	Relay (1.0) Calculated Property
Vc	1.794	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	[1604.32; 1737.19]	J/mol×K	[967.10; 1206.35]
Cp,gas	1604.32	J/mol×K	967.10	Joback Calculated Property
Cp,gas	1631.33	J/mol×K	1006.97	Joback Calculated Property
Cp,gas	1656.24	J/mol×K	1046.85	Joback Calculated Property
Cp,gas	1679.17	J/mol×K	1086.72	Joback Calculated Property
Cp,gas	1700.22	J/mol×K	1126.60	Joback Calculated Property
Cp,gas	1719.53	J/mol×K	1166.47	Joback Calculated Property
Cp,gas	1737.19	J/mol×K	1206.35	Joback Calculated Property
η	[0.0000125; 0.0005448]	Pa×s	[481.46; 967.10]
η	0.0005448	Pa×s	481.46	Joback Calculated Property
η	0.0001847	Pa×s	562.40	Joback Calculated Property
η	0.0000822	Pa×s	643.34	Joback Calculated Property
η	0.0000438	Pa×s	724.28	Joback Calculated Property
η	0.0000265	Pa×s	805.22	Joback Calculated Property
η	0.0000176	Pa×s	886.16	Joback Calculated Property
η	0.0000125	Pa×s	967.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to pentacosyl hexanoate.

Sources

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

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