Chemical Properties of Isobutyl laurate (CAS 37811-72-6)

InChI

InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15(2)3/h15H,4-14H2,1-3H3

InChI Key

SZFOMJOELAAHAF-UHFFFAOYSA-N

Formula

C16H32O2

SMILES

CCCCCCCCCCCC(=O)OCC(C)C

Molecular Weight¹

256.42

CAS

37811-72-6

Other Names

• Lauric acid isobutyl ester
• Dodecanoic acid, 2-methylpropyl ester
• 2-Methylpropyl dodecanoate
• Isobutyl 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.
• I : 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	0.8067		Relay (1.0) Calculated Property
ΔfH°gas	-701.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.04	kJ/mol	Joback Calculated Property
ΔvapH°	78.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-5.47		Relay (1.0) Calculated Property
logPoct/wat	5.107		Crippen Calculated Property
McVol	243.740	ml/mol	McGowan Calculated Property
Pc	1331.01	kPa	Joback Calculated Property
Inp	[1715.00; 1753.00]
Inp	1745.40		NIST
Inp	1753.00		NIST
Inp	1745.40		NIST
Inp	1750.00		NIST
Inp	Outlier 1715.00		NIST
Inp	1750.00		NIST
Inp	1753.00		NIST
I	[1964.00; 1964.00]
I	1964.00		NIST
I	1964.00		NIST
Tboil	556.70	K	Relay (1.0) Calculated Property
Tc	730.22	K	Relay (1.0) Calculated Property
Tfus	258.08	K	Relay (1.0) Calculated Property
Vc	0.949	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	[667.57; 766.20]	J/mol×K	[623.46; 790.54]
Cp,gas	667.57	J/mol×K	623.46	Joback Calculated Property
Cp,gas	685.96	J/mol×K	651.31	Joback Calculated Property
Cp,gas	703.55	J/mol×K	679.15	Joback Calculated Property
Cp,gas	720.35	J/mol×K	707.00	Joback Calculated Property
Cp,gas	736.39	J/mol×K	734.85	Joback Calculated Property
Cp,gas	751.66	J/mol×K	762.69	Joback Calculated Property
Cp,gas	766.20	J/mol×K	790.54	Joback Calculated Property
η	[0.0001031; 0.0053365]	Pa×s	[297.41; 623.46]
η	0.0053365	Pa×s	297.41	Joback Calculated Property
η	0.0016630	Pa×s	351.75	Joback Calculated Property
η	0.0007081	Pa×s	406.09	Joback Calculated Property
η	0.0003688	Pa×s	460.44	Joback Calculated Property
η	0.0002204	Pa×s	514.78	Joback Calculated Property
η	0.0001454	Pa×s	569.12	Joback Calculated Property
η	0.0001031	Pa×s	623.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobutyl laurate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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