Chemical Properties of Butanoic acid, docosyl ester (CAS 55373-87-0)

InChI

InChI=1S/C26H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-26(27)24-4-2/h3-25H2,1-2H3

InChI Key

VCZVPMCCBMEIIG-UHFFFAOYSA-N

Formula

C26H52O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC

Molecular Weight¹

396.69

CAS

55373-87-0

Other Names

• Docosanyl butyrate

• 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	1.1853		Relay (1.0) Calculated Property
ΔfH°gas	-895.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.47	kJ/mol	Joback Calculated Property
ΔvapH°	127.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-8.67		Relay (1.0) Calculated Property
logPoct/wat	9.152		Crippen Calculated Property
McVol	384.640	ml/mol	McGowan Calculated Property
Pc	726.92	kPa	Joback Calculated Property
Inp	[2781.00; 2781.00]
Inp	2781.00		NIST
Inp	2781.00		NIST
Tboil	628.03	K	Relay (1.0) Calculated Property
Tc	818.47	K	Relay (1.0) Calculated Property
Tfus	305.10	K	Relay (1.0) Calculated Property
Vc	1.520	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	[1274.54; 1392.42]	J/mol×K	[852.70; 1044.98]
Cp,gas	1274.54	J/mol×K	852.70	Joback Calculated Property
Cp,gas	1297.40	J/mol×K	884.75	Joback Calculated Property
Cp,gas	1318.91	J/mol×K	916.79	Joback Calculated Property
Cp,gas	1339.12	J/mol×K	948.84	Joback Calculated Property
Cp,gas	1358.07	J/mol×K	980.89	Joback Calculated Property
Cp,gas	1375.83	J/mol×K	1012.94	Joback Calculated Property
Cp,gas	1392.42	J/mol×K	1044.98	Joback Calculated Property
η	[0.0000273; 0.0011206]	Pa×s	[425.11; 852.70]
η	0.0011206	Pa×s	425.11	Joback Calculated Property
η	0.0003870	Pa×s	496.38	Joback Calculated Property
η	0.0001745	Pa×s	567.64	Joback Calculated Property
η	0.0000940	Pa×s	638.90	Joback Calculated Property
η	0.0000573	Pa×s	710.17	Joback Calculated Property
η	0.0000383	Pa×s	781.43	Joback Calculated Property
η	0.0000273	Pa×s	852.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, docosyl 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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