Chemical Properties of Cyclohexyl nonanoate

InChI

InChI=1S/C15H28O2/c1-2-3-4-5-6-10-13-15(16)17-14-11-8-7-9-12-14/h14H,2-13H2,1H3

InChI Key

ZXGCFXPVWOGXMA-UHFFFAOYSA-N

Formula

C15H28O2

SMILES

CCCCCCCCC(=O)OC1CCCCC1

Molecular Weight¹

240.39

Other Names

• Cyclohexyl nonanoate
• Nonoic acid, cyclohexyl ester

• 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	0.6979		Relay (1.0) Calculated Property
ΔfH°gas	-636.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.81	kJ/mol	Joback Calculated Property
ΔvapH°	79.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-4.92		Relay (1.0) Calculated Property
logPoct/wat	4.613		Crippen Calculated Property
McVol	218.790	ml/mol	McGowan Calculated Property
Pc	1668.70	kPa	Joback Calculated Property
Inp	[1702.00; 1736.00]
Inp	1736.00		NIST
Inp	1702.00		NIST
Tboil	562.81	K	Relay (1.0) Calculated Property
Tc	772.22	K	Relay (1.0) Calculated Property
Tfus	254.11	K	Relay (1.0) Calculated Property
Vc	0.827	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	[606.29; 713.90]	J/mol×K	[620.57; 810.33]
Cp,gas	606.29	J/mol×K	620.57	Joback Calculated Property
Cp,gas	626.87	J/mol×K	652.20	Joback Calculated Property
Cp,gas	646.36	J/mol×K	683.82	Joback Calculated Property
Cp,gas	664.79	J/mol×K	715.45	Joback Calculated Property
Cp,gas	682.17	J/mol×K	747.08	Joback Calculated Property
Cp,gas	698.53	J/mol×K	778.71	Joback Calculated Property
Cp,gas	713.90	J/mol×K	810.33	Joback Calculated Property
η	[0.0001321; 0.0050592]	Pa×s	[308.52; 620.57]
η	0.0050592	Pa×s	308.52	Joback Calculated Property
η	0.0017777	Pa×s	360.53	Joback Calculated Property
η	0.0008131	Pa×s	412.54	Joback Calculated Property
η	0.0004431	Pa×s	464.54	Joback Calculated Property
η	0.0002729	Pa×s	516.55	Joback Calculated Property
η	0.0001836	Pa×s	568.56	Joback Calculated Property
η	0.0001321	Pa×s	620.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexyl nonanoate.

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.