Chemical Properties of eicosanyl dodecanoate

InChI

InChI=1S/C32H64O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-34-32(33)30-28-26-24-22-12-10-8-6-4-2/h3-31H2,1-2H3

InChI Key

GTUGKPSGIYCKEQ-UHFFFAOYSA-N

Formula

C32H64O2

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC

Molecular Weight¹

480.85

• 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	1.3962		Relay (1.0) Calculated Property
ΔfH°gas	-1019.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	83.01	kJ/mol	Joback Calculated Property
ΔvapH°	150.43	kJ/mol	Relay (1.0) Calculated Property
IE	10.05	eV	Relay (1.0) Calculated Property
log10WS	-10.27		Relay (1.0) Calculated Property
logPoct/wat	11.492		Crippen Calculated Property
McVol	469.180	ml/mol	McGowan Calculated Property
Pc	544.63	kPa	Joback Calculated Property
Inp	[3351.81; 3351.81]
Inp	3351.81		NIST
Inp	3351.81		NIST
Tboil	669.74	K	Relay (1.0) Calculated Property
Tc	856.86	K	Relay (1.0) Calculated Property
Tfus	318.85	K	Relay (1.0) Calculated Property
Vc	1.849	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	[1671.45; 1807.91]	J/mol×K	[989.98; 1242.65]
Cp,gas	1671.45	J/mol×K	989.98	Joback Calculated Property
Cp,gas	1699.53	J/mol×K	1032.09	Joback Calculated Property
Cp,gas	1725.29	J/mol×K	1074.20	Joback Calculated Property
Cp,gas	1748.87	J/mol×K	1116.31	Joback Calculated Property
Cp,gas	1770.41	J/mol×K	1158.42	Joback Calculated Property
Cp,gas	1790.04	J/mol×K	1200.54	Joback Calculated Property
Cp,gas	1807.91	J/mol×K	1242.65	Joback Calculated Property
η	[0.0000106; 0.0004688]	Pa×s	[492.73; 989.98]
η	0.0004688	Pa×s	492.73	Joback Calculated Property
η	0.0001584	Pa×s	575.61	Joback Calculated Property
η	0.0000703	Pa×s	658.48	Joback Calculated Property
η	0.0000374	Pa×s	741.36	Joback Calculated Property
η	0.0000226	Pa×s	824.23	Joback Calculated Property
η	0.0000150	Pa×s	907.11	Joback Calculated Property
η	0.0000106	Pa×s	989.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to eicosanyl dodecanoate.

Sources

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

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