Chemical Properties of octacosyl hexanoate

InChI

InChI=1S/C34H68O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-36-34(35)32-30-6-4-2/h3-33H2,1-2H3

InChI Key

BBLXLVJJLGPWPD-UHFFFAOYSA-N

Formula

C34H68O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC

Molecular Weight¹

508.92

• 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	1.4665		Relay (1.0) Calculated Property
ΔfH°gas	-1061.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	88.19	kJ/mol	Joback Calculated Property
ΔvapH°	160.11	kJ/mol	Relay (1.0) Calculated Property
IE	10.12	eV	Relay (1.0) Calculated Property
log10WS	-10.81		Relay (1.0) Calculated Property
logPoct/wat	12.272		Crippen Calculated Property
McVol	497.360	ml/mol	McGowan Calculated Property
Pc	498.91	kPa	Joback Calculated Property
Inp	[3570.57; 3570.57]
Inp	3570.57		NIST
Inp	3570.57		NIST
Tboil	681.31	K	Relay (1.0) Calculated Property
Tc	867.68	K	Relay (1.0) Calculated Property
Tfus	322.05	K	Relay (1.0) Calculated Property
Vc	1.958	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	[1806.55; 1950.84]	J/mol×K	[1035.74; 1320.23]
Cp,gas	1806.55	J/mol×K	1035.74	Joback Calculated Property
Cp,gas	1837.06	J/mol×K	1083.16	Joback Calculated Property
Cp,gas	1864.70	J/mol×K	1130.57	Joback Calculated Property
Cp,gas	1889.68	J/mol×K	1177.99	Joback Calculated Property
Cp,gas	1912.22	J/mol×K	1225.40	Joback Calculated Property
Cp,gas	1932.54	J/mol×K	1272.82	Joback Calculated Property
Cp,gas	1950.84	J/mol×K	1320.23	Joback Calculated Property
η	[0.0000077; 0.0003454]	Pa×s	[515.27; 1035.74]
η	0.0003454	Pa×s	515.27	Joback Calculated Property
η	0.0001160	Pa×s	602.01	Joback Calculated Property
η	0.0000513	Pa×s	688.76	Joback Calculated Property
η	0.0000272	Pa×s	775.50	Joback Calculated Property
η	0.0000164	Pa×s	862.25	Joback Calculated Property
η	0.0000108	Pa×s	949.00	Joback Calculated Property
η	0.0000077	Pa×s	1035.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to octacosyl hexanoate.

Sources

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

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