Chemical Properties of octyl pentacosanoate

InChI

InChI=1S/C33H66O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33(34)35-32-30-28-10-8-6-4-2/h3-32H2,1-2H3

InChI Key

RFPRPBHMYANGJW-UHFFFAOYSA-N

Formula

C33H66O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC

Molecular Weight¹

494.89

• 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	1.4313		Relay (1.0) Calculated Property
ΔfH°gas	-1040.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	85.59	kJ/mol	Joback Calculated Property
ΔvapH°	155.05	kJ/mol	Relay (1.0) Calculated Property
IE	10.08	eV	Relay (1.0) Calculated Property
log10WS	-10.54		Relay (1.0) Calculated Property
logPoct/wat	11.882		Crippen Calculated Property
McVol	483.270	ml/mol	McGowan Calculated Property
Pc	521.02	kPa	Joback Calculated Property
Inp	[3461.54; 3461.54]
Inp	3461.54		NIST
Inp	3461.54		NIST
Tboil	675.95	K	Relay (1.0) Calculated Property
Tc	862.50	K	Relay (1.0) Calculated Property
Tfus	320.60	K	Relay (1.0) Calculated Property
Vc	1.903	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	[1738.87; 1879.13]	J/mol×K	[1012.86; 1280.56]
Cp,gas	1738.87	J/mol×K	1012.86	Joback Calculated Property
Cp,gas	1768.12	J/mol×K	1057.48	Joback Calculated Property
Cp,gas	1794.79	J/mol×K	1102.09	Joback Calculated Property
Cp,gas	1819.05	J/mol×K	1146.71	Joback Calculated Property
Cp,gas	1841.08	J/mol×K	1191.33	Joback Calculated Property
Cp,gas	1861.05	J/mol×K	1235.94	Joback Calculated Property
Cp,gas	1879.13	J/mol×K	1280.56	Joback Calculated Property
η	[0.0000091; 0.0004027]	Pa×s	[504.00; 1012.86]
η	0.0004027	Pa×s	504.00	Joback Calculated Property
η	0.0001357	Pa×s	588.81	Joback Calculated Property
η	0.0000601	Pa×s	673.62	Joback Calculated Property
η	0.0000319	Pa×s	758.43	Joback Calculated Property
η	0.0000193	Pa×s	843.24	Joback Calculated Property
η	0.0000128	Pa×s	928.05	Joback Calculated Property
η	0.0000091	Pa×s	1012.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to octyl pentacosanoate.

Sources

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

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