Chemical Properties of 2-Pentyl dodecanoate

InChI

InChI=1S/C17H34O2/c1-4-6-7-8-9-10-11-12-13-15-17(18)19-16(3)14-5-2/h16H,4-15H2,1-3H3

InChI Key

MMMPIDDNNZYIOB-UHFFFAOYSA-N

Formula

C17H34O2

SMILES

CCCCCCCCCCCC(=O)OC(C)CCC

Molecular Weight¹

270.46

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8300		Relay (1.0) Calculated Property
ΔfH°gas	-730.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.63	kJ/mol	Joback Calculated Property
ΔvapH°	84.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-5.57		Relay (1.0) Calculated Property
logPoct/wat	5.639		Crippen Calculated Property
McVol	257.830	ml/mol	McGowan Calculated Property
Pc	1242.46	kPa	Joback Calculated Property
Inp	[1804.00; 1804.00]
Inp	1804.00		NIST
Inp	1804.00		NIST
Tboil	550.49	K	Relay (1.0) Calculated Property
Tc	739.93	K	Relay (1.0) Calculated Property
Tfus	248.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[723.72; 824.35]	J/mol×K	[646.34; 813.38]
Cp,gas	723.72	J/mol×K	646.34	Joback Calculated Property
Cp,gas	742.53	J/mol×K	674.18	Joback Calculated Property
Cp,gas	760.50	J/mol×K	702.02	Joback Calculated Property
Cp,gas	777.65	J/mol×K	729.86	Joback Calculated Property
Cp,gas	793.99	J/mol×K	757.70	Joback Calculated Property
Cp,gas	809.56	J/mol×K	785.54	Joback Calculated Property
Cp,gas	824.35	J/mol×K	813.38	Joback Calculated Property
η	[0.0000907; 0.0047508]	Pa×s	[308.68; 646.34]
η	0.0047508	Pa×s	308.68	Joback Calculated Property
η	0.0014770	Pa×s	364.96	Joback Calculated Property
η	0.0006274	Pa×s	421.23	Joback Calculated Property
η	0.0003261	Pa×s	477.51	Joback Calculated Property
η	0.0001946	Pa×s	533.79	Joback Calculated Property
η	0.0001281	Pa×s	590.06	Joback Calculated Property
η	0.0000907	Pa×s	646.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentyl dodecanoate.

Sources

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

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