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°	84.01	kJ/mol	Joback Calculated Property
ΔvapH°	153.35	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	530.91	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	859.62	K	Relay (1.0) Calculated Property
Tfus	325.58	K	Relay (1.0) Calculated Property
Vc	1.902	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	[1750.75; 1893.74]	J/mol×K	[1030.73; 1306.79]
Cp,gas	1750.75	J/mol×K	1030.73	Joback Calculated Property
Cp,gas	1780.48	J/mol×K	1076.74	Joback Calculated Property
Cp,gas	1807.60	J/mol×K	1122.75	Joback Calculated Property
Cp,gas	1832.30	J/mol×K	1168.76	Joback Calculated Property
Cp,gas	1854.77	J/mol×K	1214.77	Joback Calculated Property
Cp,gas	1875.18	J/mol×K	1260.78	Joback Calculated Property
Cp,gas	1893.74	J/mol×K	1306.79	Joback Calculated Property
η	[0.0000105; 0.0003193]	Pa×s	[533.83; 1030.73]
η	0.0003193	Pa×s	533.83	Joback Calculated Property
η	0.0001232	Pa×s	616.65	Joback Calculated Property
η	0.0000595	Pa×s	699.46	Joback Calculated Property
η	0.0000336	Pa×s	782.28	Joback Calculated Property
η	0.0000211	Pa×s	865.10	Joback Calculated Property
η	0.0000144	Pa×s	947.91	Joback Calculated Property
η	0.0000105	Pa×s	1030.73	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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