Chemical Properties of Cetyl isooctanoate

InChI

InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-24(25)21-18-17-20-23(2)3/h23H,4-22H2,1-3H3

InChI Key

OIKBVOIOVNEVJR-UHFFFAOYSA-N

Formula

C24H48O2

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCC(C)C

Molecular Weight¹

368.64

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	1.0793		Relay (1.0) Calculated Property
ΔfG°	-161.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-865.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.76	kJ/mol	Joback Calculated Property
ΔvapH°	110.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
log10WS	-7.99		Relay (1.0) Calculated Property
logPoct/wat	8.227		Crippen Calculated Property
McVol	356.460	ml/mol	McGowan Calculated Property
Pc	812.14	kPa	Joback Calculated Property
Inp	[2460.00; 2460.00]
Inp	2460.00		NIST
Inp	2460.00		NIST
Tboil	622.37	K	Relay (1.0) Calculated Property
Tc	804.12	K	Relay (1.0) Calculated Property
Tfus	291.62	K	Relay (1.0) Calculated Property
Vc	1.386	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1146.74; 1259.88]	J/mol×K	[806.50; 987.72]
Cp,gas	1146.74	J/mol×K	806.50	Joback Calculated Property
Cp,gas	1168.42	J/mol×K	836.70	Joback Calculated Property
Cp,gas	1188.93	J/mol×K	866.91	Joback Calculated Property
Cp,gas	1208.29	J/mol×K	897.11	Joback Calculated Property
Cp,gas	1226.55	J/mol×K	927.31	Joback Calculated Property
Cp,gas	1243.73	J/mol×K	957.51	Joback Calculated Property
Cp,gas	1259.88	J/mol×K	987.72	Joback Calculated Property
η	[0.0000339; 0.0018842]	Pa×s	[387.57; 806.50]
η	0.0018842	Pa×s	387.57	Joback Calculated Property
η	0.0005785	Pa×s	457.39	Joback Calculated Property
η	0.0002429	Pa×s	527.21	Joback Calculated Property
η	0.0001249	Pa×s	597.04	Joback Calculated Property
η	0.0000738	Pa×s	666.86	Joback Calculated Property
η	0.0000482	Pa×s	736.68	Joback Calculated Property
η	0.0000339	Pa×s	806.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cetyl isooctanoate.

Sources

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

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