Chemical Properties of Hexyl laurate (CAS 34316-64-8)

InChI

InChI=1S/C18H36O2/c1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h3-17H2,1-2H3

InChI Key

CMBYOWLFQAFZCP-UHFFFAOYSA-N

Formula

C18H36O2

SMILES

CCCCCCCCCCCC(=O)OCCCCCC

Molecular Weight¹

284.48

CAS

34316-64-8

Other Names

• hexyl dodecanoate

• 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	0.9055		Relay (1.0) Calculated Property
ΔfH°gas	-731.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.16	kJ/mol	Joback Calculated Property
ΔvapH°	88.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-6.12		Relay (1.0) Calculated Property
logPoct/wat	6.031		Crippen Calculated Property
McVol	271.920	ml/mol	McGowan Calculated Property
Pc	1189.06	kPa	Joback Calculated Property
Inp	[1963.00; 1983.20]
Inp	1983.20		NIST
Inp	1963.00		NIST
Inp	1963.00		NIST
Inp	1983.20		NIST
Tboil	578.93	K	Relay (1.0) Calculated Property
Tc	758.71	K	Relay (1.0) Calculated Property
Tfus	269.75 ± 3.00	K	NIST
Vc	1.068	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	[789.92; 890.54]	J/mol×K	[687.53; 855.83]
Cp,gas	789.92	J/mol×K	687.53	Joback Calculated Property
Cp,gas	808.70	J/mol×K	715.58	Joback Calculated Property
Cp,gas	826.65	J/mol×K	743.63	Joback Calculated Property
Cp,gas	843.80	J/mol×K	771.68	Joback Calculated Property
Cp,gas	860.14	J/mol×K	799.73	Joback Calculated Property
Cp,gas	875.72	J/mol×K	827.78	Joback Calculated Property
Cp,gas	890.54	J/mol×K	855.83	Joback Calculated Property
η	[0.0000953; 0.0020226]	Pa×s	[364.78; 687.53]
η	0.0020226	Pa×s	364.78	Joback Calculated Property
η	0.0008765	Pa×s	418.57	Joback Calculated Property
η	0.0004595	Pa×s	472.36	Joback Calculated Property
η	0.0002749	Pa×s	526.15	Joback Calculated Property
η	0.0001809	Pa×s	579.95	Joback Calculated Property
η	0.0001278	Pa×s	633.74	Joback Calculated Property
η	0.0000953	Pa×s	687.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexyl laurate.

Sources

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

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