Chemical Properties of Pentadecanoic acid, 3-methylbutyl ester (CAS 2306-91-4)

InChI

InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3

InChI Key

XDOGFYDZGUDBQY-UHFFFAOYSA-N

Formula

C15H30O2

SMILES

CCCCCCCCCC(=O)OCCC(C)C

Molecular Weight¹

242.40

CAS

2306-91-4

Other Names

• iso-Amyl n-decanoate
• 3-Methylbuthyl ester of pentadecanoic acid
• 3-Methylbutyl decanoate
• Isoamyl decanoate
• Isopentyl decanoate
• 3-Methylbuthyl ester pentadecanoic acid

• 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).
• 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
ΔfG°	-160.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-603.01	kJ/mol	Joback Calculated Property
ΔfusH°	33.87	kJ/mol	Joback Calculated Property
ΔvapH°	57.75	kJ/mol	Joback Calculated Property
log10WS	-4.72		Crippen Calculated Property
logPoct/wat	4.716		Crippen Calculated Property
McVol	229.650	ml/mol	McGowan Calculated Property
Pc	1474.75	kPa	Joback Calculated Property
Inp	[1615.00; 1653.40]
Inp	Outlier 1615.00		NIST
Inp	1653.40		NIST
Inp	1647.00		NIST
Inp	1627.00		NIST
Inp	1647.00		NIST
Inp	1649.00		NIST
Inp	1651.00		NIST
Inp	1644.00		NIST
Inp	1641.00		NIST
Inp	1646.00		NIST
Inp	1633.00		NIST
Inp	1633.00		NIST
Inp	1644.00		NIST
Inp	1644.00		NIST
Inp	1646.00		NIST
I	[1840.00; 1871.00]
I	1863.00		NIST
I	1859.00		NIST
I	1851.00		NIST
I	1859.00		NIST
I	1863.00		NIST
I	1864.00		NIST
I	1866.00		NIST
I	1868.00		NIST
I	1871.00		NIST
I	1863.00		NIST
I	1871.00		NIST
I	1856.00		NIST
I	1861.00		NIST
I	1853.00		NIST
I	1848.00		NIST
I	Outlier 1840.00		NIST
I	1864.00		NIST
Tboil	618.45	K	Joback Calculated Property
Tc	788.43	K	Joback Calculated Property
Tfus	315.97	K	Joback Calculated Property
Vc	0.893	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[621.09; 716.38]	J/mol×K	[618.45; 788.43]
Cp,gas	621.09	J/mol×K	618.45	Joback Calculated Property
Cp,gas	638.80	J/mol×K	646.78	Joback Calculated Property
Cp,gas	655.75	J/mol×K	675.11	Joback Calculated Property
Cp,gas	671.98	J/mol×K	703.44	Joback Calculated Property
Cp,gas	687.48	J/mol×K	731.77	Joback Calculated Property
Cp,gas	702.28	J/mol×K	760.10	Joback Calculated Property
Cp,gas	716.38	J/mol×K	788.43	Joback Calculated Property
η	[0.0001278; 0.0034492]	Pa×s	[315.97; 618.45]
η	0.0034492	Pa×s	315.97	Joback Calculated Property
η	0.0013649	Pa×s	366.38	Joback Calculated Property
η	0.0006759	Pa×s	416.80	Joback Calculated Property
η	0.0003895	Pa×s	467.21	Joback Calculated Property
η	0.0002499	Pa×s	517.62	Joback Calculated Property
η	0.0001735	Pa×s	568.04	Joback Calculated Property
η	0.0001278	Pa×s	618.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecanoic acid, 3-methylbutyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.