Chemical Properties of Pentanoic acid, cyclohexyl ester (CAS 1551-43-5)

InChI

InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3

InChI Key

YLCHTSSXNSNXSW-UHFFFAOYSA-N

Formula

C11H20O2

SMILES

CCCCC(=O)OC1CCCCC1

Molecular Weight¹

184.28

CAS

1551-43-5

Other Names

• 1-Cyclohexyl pentanoate
• cyclohexyl pentanoate
• cyclohexyl valerate
• valeric acid, cyclohexyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5354		Relay (1.0) Calculated Property
ΔfG°	-167.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-555.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.87	kJ/mol	Joback Calculated Property
ΔvapH°	[62.40; 67.20]	kJ/mol
ΔvapH°	63.70 ± 0.10	kJ/mol	NIST
ΔvapH°	67.20 ± 0.80	kJ/mol	NIST
ΔvapH°	63.90 ± 0.40	kJ/mol	NIST
ΔvapH°	62.40 ± 0.70	kJ/mol	NIST
IE	9.75	eV	Relay (1.0) Calculated Property
log10WS	-3.27		Relay (1.0) Calculated Property
logPoct/wat	3.053		Crippen Calculated Property
McVol	162.430	ml/mol	McGowan Calculated Property
Pc	2443.48	kPa	Joback Calculated Property
Inp	[1299.00; 1310.00]
Inp	1299.00		NIST
Inp	1310.00		NIST
I	1595.00		NIST
Tboil	500.10	K	Relay (1.0) Calculated Property
Tc	708.27	K	Relay (1.0) Calculated Property
Tfus	219.45	K	Relay (1.0) Calculated Property
Ttriple	222.40 ± 0.15	K	NIST
Vc	0.599	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[404.06; 501.43]	J/mol×K	[546.92; 749.25]
Cp,gas	404.06	J/mol×K	546.92	Joback Calculated Property
Cp,gas	422.58	J/mol×K	580.64	Joback Calculated Property
Cp,gas	440.17	J/mol×K	614.36	Joback Calculated Property
Cp,gas	456.83	J/mol×K	648.08	Joback Calculated Property
Cp,gas	472.58	J/mol×K	681.81	Joback Calculated Property
Cp,gas	487.44	J/mol×K	715.53	Joback Calculated Property
Cp,gas	501.43	J/mol×K	749.25	Joback Calculated Property
η	[0.0002216; 0.0040594]	Pa×s	[293.27; 546.92]
η	0.0040594	Pa×s	293.27	Joback Calculated Property
η	0.0018425	Pa×s	335.54	Joback Calculated Property
η	0.0009979	Pa×s	377.82	Joback Calculated Property
η	0.0006115	Pa×s	420.09	Joback Calculated Property
η	0.0004098	Pa×s	462.37	Joback Calculated Property
η	0.0002937	Pa×s	504.64	Joback Calculated Property
η	0.0002216	Pa×s	546.92	Joback Calculated Property
ΔvapH	63.60	kJ/mol	299.54	Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters

Similar Compounds

Find more compounds similar to Pentanoic acid, cyclohexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters
• Joback Method
• McGowan Method
• NIST Webbook

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