Chemical Properties of 4-Hexadecyl cyclopentanecarboxylate

InChI

InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-13-19-21(16-4-2)24-22(23)20-17-14-15-18-20/h20-21H,3-19H2,1-2H3

InChI Key

FBBOXFRALFYLMY-UHFFFAOYSA-N

Formula

C22H42O2

SMILES

CCCCCCCCCCCCC(CCC)OC(=O)C1CCCC1

Molecular Weight¹

338.58

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.93	kJ/mol	Joback Calculated Property
logPoct/wat	7.200		Crippen Calculated Property
McVol	317.420	ml/mol	McGowan Calculated Property
Inp	[285.10; 285.10]
Inp	285.10		NIST
Inp	285.10		NIST
Inp	285.10		NIST
Tboil	619.35	K	Relay (1.0) Calculated Property
Tfus	274.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[1025.80; 1136.41]	J/mol×K	[793.89; 980.66]
Cp,gas	1025.80	J/mol×K	793.89	Joback Calculated Property
Cp,gas	1047.08	J/mol×K	825.02	Joback Calculated Property
Cp,gas	1067.16	J/mol×K	856.15	Joback Calculated Property
Cp,gas	1086.10	J/mol×K	887.27	Joback Calculated Property
Cp,gas	1103.93	J/mol×K	918.40	Joback Calculated Property
Cp,gas	1120.68	J/mol×K	949.53	Joback Calculated Property
Cp,gas	1136.41	J/mol×K	980.66	Joback Calculated Property
η	[0.0000754; 0.0019486]	Pa×s	[405.76; 793.89]
η	0.0019486	Pa×s	405.76	Joback Calculated Property
η	0.0007807	Pa×s	470.45	Joback Calculated Property
η	0.0003902	Pa×s	535.14	Joback Calculated Property
η	0.0002265	Pa×s	599.83	Joback Calculated Property
η	0.0001462	Pa×s	664.51	Joback Calculated Property
η	0.0001020	Pa×s	729.20	Joback Calculated Property
η	0.0000754	Pa×s	793.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hexadecyl cyclopentanecarboxylate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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