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

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-555.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.45	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	2347.36	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	713.52	K	Relay (1.0) Calculated Property
Tfus	216.51	K	Relay (1.0) Calculated Property
Ttriple	222.40 ± 0.15	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[396.85; 496.08]	J/mol×K	[529.05; 728.75]
Cp,gas	396.85	J/mol×K	529.05	Joback Calculated Property
Cp,gas	415.76	J/mol×K	562.33	Joback Calculated Property
Cp,gas	433.71	J/mol×K	595.62	Joback Calculated Property
Cp,gas	450.70	J/mol×K	628.90	Joback Calculated Property
Cp,gas	466.74	J/mol×K	662.19	Joback Calculated Property
Cp,gas	481.86	J/mol×K	695.47	Joback Calculated Property
Cp,gas	496.08	J/mol×K	728.75	Joback Calculated Property
η	[0.0002054; 0.0071161]	Pa×s	[263.44; 529.05]
η	0.0071161	Pa×s	263.44	Joback Calculated Property
η	0.0025767	Pa×s	307.71	Joback Calculated Property
η	0.0012046	Pa×s	351.98	Joback Calculated Property
η	0.0006675	Pa×s	396.25	Joback Calculated Property
η	0.0004164	Pa×s	440.51	Joback Calculated Property
η	0.0002832	Pa×s	484.78	Joback Calculated Property
η	0.0002054	Pa×s	529.05	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

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.