Chemical Properties of Decanoic acid, hexyl ester (CAS 10448-26-7)

InChI

InChI=1S/C16H32O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3-15H2,1-2H3

InChI Key

DGPNTCACXCHFDI-UHFFFAOYSA-N

Formula

C16H32O2

SMILES

CCCCCCCCCC(=O)OCCCCCC

Molecular Weight¹

256.42

CAS

10448-26-7

Other Names

• hexyl decanoate
• Hexyl caprate

• 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	0.8352		Relay (1.0) Calculated Property
ΔfH°gas	-690.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.56	kJ/mol	Joback Calculated Property
ΔvapH°	81.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-5.43		Relay (1.0) Calculated Property
logPoct/wat	5.251		Crippen Calculated Property
McVol	243.740	ml/mol	McGowan Calculated Property
Pc	1323.28	kPa	Joback Calculated Property
Inp	[1763.00; 1784.00]
Inp	1783.80		NIST
Inp	1784.00		NIST
Inp	1763.00		NIST
Inp	1784.00		NIST
Inp	1783.80		NIST
I	[1998.00; 2017.00]
I	1998.00		NIST
I	2017.00		NIST
I	2011.00		NIST
I	1998.00		NIST
I	2011.00		NIST
I	2017.00		NIST
Tboil	561.71	K	Relay (1.0) Calculated Property
Tc	743.78	K	Relay (1.0) Calculated Property
Tfus	253.86 ± 1.50	K	NIST
Vc	0.956	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	[667.22; 764.51]	J/mol×K	[623.90; 788.70]
Cp,gas	667.22	J/mol×K	623.90	Joback Calculated Property
Cp,gas	685.32	J/mol×K	651.37	Joback Calculated Property
Cp,gas	702.65	J/mol×K	678.83	Joback Calculated Property
Cp,gas	719.22	J/mol×K	706.30	Joback Calculated Property
Cp,gas	735.04	J/mol×K	733.77	Joback Calculated Property
Cp,gas	750.13	J/mol×K	761.24	Joback Calculated Property
Cp,gas	764.51	J/mol×K	788.70	Joback Calculated Property
η	[0.0001106; 0.0037627]	Pa×s	[312.41; 623.90]
η	0.0037627	Pa×s	312.41	Joback Calculated Property
η	0.0013752	Pa×s	364.32	Joback Calculated Property
η	0.0006461	Pa×s	416.24	Joback Calculated Property
η	0.0003589	Pa×s	468.15	Joback Calculated Property
η	0.0002242	Pa×s	520.07	Joback Calculated Property
η	0.0001525	Pa×s	571.98	Joback Calculated Property
η	0.0001106	Pa×s	623.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Decanoic acid, hexyl 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.
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