Chemical Properties of butyl tricosanoate

InChI

InChI=1S/C27H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(28)29-26-6-4-2/h3-26H2,1-2H3

InChI Key

OOFIKOSSWVXGLK-UHFFFAOYSA-N

Formula

C27H54O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC

Molecular Weight¹

410.73

• 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	1.2200		Relay (1.0) Calculated Property
ΔfH°gas	-918.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.47	kJ/mol	Joback Calculated Property
ΔvapH°	128.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.91	eV	Relay (1.0) Calculated Property
log10WS	-8.90		Relay (1.0) Calculated Property
logPoct/wat	9.542		Crippen Calculated Property
McVol	398.730	ml/mol	McGowan Calculated Property
Pc	705.83	kPa	Joback Calculated Property
Inp	[2872.77; 2872.77]
Inp	2872.77		NIST
Inp	2872.77		NIST
Tboil	637.84	K	Relay (1.0) Calculated Property
Tc	822.36	K	Relay (1.0) Calculated Property
Tfus	313.39	K	Relay (1.0) Calculated Property
Vc	1.573	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	[1350.54; 1471.80]	J/mol×K	[893.45; 1097.77]
Cp,gas	1350.54	J/mol×K	893.45	Joback Calculated Property
Cp,gas	1374.21	J/mol×K	927.50	Joback Calculated Property
Cp,gas	1396.42	J/mol×K	961.56	Joback Calculated Property
Cp,gas	1417.22	J/mol×K	995.61	Joback Calculated Property
Cp,gas	1436.68	J/mol×K	1029.66	Joback Calculated Property
Cp,gas	1454.85	J/mol×K	1063.71	Joback Calculated Property
Cp,gas	1471.80	J/mol×K	1097.77	Joback Calculated Property
η	[0.0000268; 0.0007281]	Pa×s	[466.21; 893.45]
η	0.0007281	Pa×s	466.21	Joback Calculated Property
η	0.0002915	Pa×s	537.42	Joback Calculated Property
η	0.0001446	Pa×s	608.62	Joback Calculated Property
η	0.0000831	Pa×s	679.83	Joback Calculated Property
η	0.0000530	Pa×s	751.04	Joback Calculated Property
η	0.0000366	Pa×s	822.24	Joback Calculated Property
η	0.0000268	Pa×s	893.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to butyl tricosanoate.

Sources

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

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