Chemical Properties of Hexacosyl cyclopentanecarboxylate

InChI

InChI=1S/C32H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30-34-32(33)31-28-25-26-29-31/h31H,2-30H2,1H3

InChI Key

KRBCQUXULQKNPL-UHFFFAOYSA-N

Formula

C32H62O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1CCCC1

Molecular Weight¹

478.85

• 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	1.3123		Relay (1.0) Calculated Property
ΔfH°gas	-962.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.94	kJ/mol	Joback Calculated Property
ΔvapH°	151.46	kJ/mol	Relay (1.0) Calculated Property
IE	10.14	eV	Relay (1.0) Calculated Property
log10WS	-10.20		Relay (1.0) Calculated Property
logPoct/wat	11.102		Crippen Calculated Property
McVol	458.320	ml/mol	McGowan Calculated Property
Pc	593.44	kPa	Joback Calculated Property
Inp	[3439.30; 3439.30]
Inp	3439.30		NIST
Inp	3439.30		NIST
Tboil	688.15	K	Relay (1.0) Calculated Property
Tc	899.29	K	Relay (1.0) Calculated Property
Tfus	326.18	K	Relay (1.0) Calculated Property
Vc	1.775	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	[1665.19; 1792.02]	J/mol×K	[1005.26; 1247.36]
Cp,gas	1665.19	J/mol×K	1005.26	Joback Calculated Property
Cp,gas	1691.12	J/mol×K	1045.61	Joback Calculated Property
Cp,gas	1714.95	J/mol×K	1085.96	Joback Calculated Property
Cp,gas	1736.81	J/mol×K	1126.31	Joback Calculated Property
Cp,gas	1756.85	J/mol×K	1166.66	Joback Calculated Property
Cp,gas	1775.21	J/mol×K	1207.01	Joback Calculated Property
Cp,gas	1792.02	J/mol×K	1247.36	Joback Calculated Property
η	[0.0000163; 0.0005899]	Pa×s	[503.63; 1005.26]
η	0.0005899	Pa×s	503.63	Joback Calculated Property
η	0.0002118	Pa×s	587.24	Joback Calculated Property
η	0.0000981	Pa×s	670.84	Joback Calculated Property
η	0.0000539	Pa×s	754.44	Joback Calculated Property
η	0.0000334	Pa×s	838.05	Joback Calculated Property
η	0.0000226	Pa×s	921.65	Joback Calculated Property
η	0.0000163	Pa×s	1005.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexacosyl cyclopentanecarboxylate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.