Chemical Properties of n-Capric acid isobutyl ester (CAS 30673-38-2)

InChI

InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3

InChI Key

AXTPGRJJIGEOOY-UHFFFAOYSA-N

Formula

C14H28O2

SMILES

CCCCCCCCCC(=O)OCC(C)C

Molecular Weight¹

228.37

CAS

30673-38-2

Other Names

• Decanoic acid, 2-methylpropyl ester
• Decanoic acid, isobutyl ester
• Isobutyl decanoate
• 2-Methylpropyl decanoate
• Isobutyl caprate

• 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.
• 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	0.7355		Relay (1.0) Calculated Property
ΔfG°	-169.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-661.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.28	kJ/mol	Joback Calculated Property
ΔvapH°	67.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-4.74		Relay (1.0) Calculated Property
logPoct/wat	4.326		Crippen Calculated Property
McVol	215.560	ml/mol	McGowan Calculated Property
Pc	1589.81	kPa	Joback Calculated Property
Inp	[1528.00; 1574.00]
Inp	1549.50		NIST
Inp	1528.00		NIST
Inp	1545.00		NIST
Inp	1546.00		NIST
Inp	1550.00		NIST
Inp	Outlier 1574.00		NIST
Inp	1533.00		NIST
Inp	1545.00		NIST
Inp	1545.00		NIST
Inp	1528.00		NIST
Inp	1549.50		NIST
I	[1748.00; 1756.00]
I	1751.00		NIST
I	1750.00		NIST
I	1756.00		NIST
I	1749.00		NIST
I	1748.00		NIST
I	1751.00		NIST
I	1750.00		NIST
I	1756.00		NIST
Tboil	530.56	K	Relay (1.0) Calculated Property
Tc	700.10	K	Relay (1.0) Calculated Property
Tfus	244.24	K	Relay (1.0) Calculated Property
Vc	0.833	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.35; 660.10]	J/mol×K	[595.57; 766.26]
Cp,gas	567.35	J/mol×K	595.57	Joback Calculated Property
Cp,gas	584.55	J/mol×K	624.02	Joback Calculated Property
Cp,gas	601.04	J/mol×K	652.47	Joback Calculated Property
Cp,gas	616.82	J/mol×K	680.91	Joback Calculated Property
Cp,gas	631.92	J/mol×K	709.36	Joback Calculated Property
Cp,gas	646.34	J/mol×K	737.81	Joback Calculated Property
Cp,gas	660.10	J/mol×K	766.26	Joback Calculated Property
η	[0.0001432; 0.0037349]	Pa×s	[304.70; 595.57]
η	0.0037349	Pa×s	304.70	Joback Calculated Property
η	0.0014934	Pa×s	353.18	Joback Calculated Property
η	0.0007451	Pa×s	401.66	Joback Calculated Property
η	0.0004318	Pa×s	450.13	Joback Calculated Property
η	0.0002782	Pa×s	498.61	Joback Calculated Property
η	0.0001938	Pa×s	547.09	Joback Calculated Property
η	0.0001432	Pa×s	595.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to n-Capric acid isobutyl ester.

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.