Chemical Properties of Methyl 3-hydroxydodecanoate (CAS 72864-23-4)

InChI

InChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h12,14H,3-11H2,1-2H3

InChI Key

OZXCINYANGIBDB-UHFFFAOYSA-N

Formula

C13H26O3

SMILES

CCCCCCCCCC(O)CC(=O)OC

Molecular Weight¹

230.34

CAS

72864-23-4

Other Names

• 3-Hydroxydodecanoic acid, methyl ester
• Dodecanoic acid, 3-hydroxy, methyl ester

• 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	0.8602		Relay (1.0) Calculated Property
ΔfH°gas	-805.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.36	kJ/mol	Joback Calculated Property
ΔvapH°	93.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Relay (1.0) Calculated Property
logPoct/wat	3.051		Crippen Calculated Property
McVol	207.340	ml/mol	McGowan Calculated Property
Pc	1793.94	kPa	Joback Calculated Property
Inp	[1650.00; 1650.00]
Inp	1650.00		NIST
Inp	1650.00		NIST
Tboil	547.85	K	Relay (1.0) Calculated Property
Tc	739.06	K	Relay (1.0) Calculated Property
Tfus	300.73	K	Relay (1.0) Calculated Property
Vc	0.793	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	[577.36; 655.28]	J/mol×K	[647.00; 813.22]
Cp,gas	577.36	J/mol×K	647.00	Joback Calculated Property
Cp,gas	591.95	J/mol×K	674.70	Joback Calculated Property
Cp,gas	605.88	J/mol×K	702.41	Joback Calculated Property
Cp,gas	619.17	J/mol×K	730.11	Joback Calculated Property
Cp,gas	631.82	J/mol×K	757.81	Joback Calculated Property
Cp,gas	643.85	J/mol×K	785.51	Joback Calculated Property
Cp,gas	655.28	J/mol×K	813.22	Joback Calculated Property
η	[0.0000396; 0.0113447]	Pa×s	[324.42; 647.00]
η	0.0113447	Pa×s	324.42	Joback Calculated Property
η	0.0022602	Pa×s	378.18	Joback Calculated Property
η	0.0006728	Pa×s	431.95	Joback Calculated Property
η	0.0002619	Pa×s	485.71	Joback Calculated Property
η	0.0001231	Pa×s	539.47	Joback Calculated Property
η	0.0000663	Pa×s	593.24	Joback Calculated Property
η	0.0000396	Pa×s	647.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 3-hydroxydodecanoate.

Sources

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

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