Chemical Properties of Cyclohexanecarboxylic acid, pentyl ester (CAS 6553-83-9)

InChI

InChI=1S/C12H22O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h11H,2-10H2,1H3

InChI Key

QLFARUWYJWNPLX-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

CCCCCOC(=O)C1CCCCC1

Molecular Weight¹

198.30

CAS

6553-83-9

Other Names

• pentyl cyclohexanecarboxylate

• 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	0.5563		Relay (1.0) Calculated Property
ΔfH°gas	-548.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.04	kJ/mol	Joback Calculated Property
ΔvapH°	62.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-3.73		Relay (1.0) Calculated Property
logPoct/wat	3.300		Crippen Calculated Property
McVol	176.520	ml/mol	McGowan Calculated Property
Pc	2143.35	kPa	Joback Calculated Property
Inp	[1405.39; 1408.57]
Inp	1405.39		NIST
Inp	1408.57		NIST
Tboil	526.85	K	Relay (1.0) Calculated Property
Tc	739.73	K	Relay (1.0) Calculated Property
Tfus	245.85	K	Relay (1.0) Calculated Property
Vc	0.647	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	[446.91; 548.96]	J/mol×K	[551.93; 748.89]
Cp,gas	446.91	J/mol×K	551.93	Joback Calculated Property
Cp,gas	466.38	J/mol×K	584.76	Joback Calculated Property
Cp,gas	484.84	J/mol×K	617.58	Joback Calculated Property
Cp,gas	502.31	J/mol×K	650.41	Joback Calculated Property
Cp,gas	518.81	J/mol×K	683.23	Joback Calculated Property
Cp,gas	534.36	J/mol×K	716.06	Joback Calculated Property
Cp,gas	548.96	J/mol×K	748.89	Joback Calculated Property
η	[0.0001857; 0.0066180]	Pa×s	[274.71; 551.93]
η	0.0066180	Pa×s	274.71	Joback Calculated Property
η	0.0023763	Pa×s	320.91	Joback Calculated Property
η	0.0011042	Pa×s	367.12	Joback Calculated Property
η	0.0006090	Pa×s	413.32	Joback Calculated Property
η	0.0003785	Pa×s	459.52	Joback Calculated Property
η	0.0002567	Pa×s	505.73	Joback Calculated Property
η	0.0001857	Pa×s	551.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, pentyl ester.

Sources

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

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