Chemical Properties of Glutaric acid, cyclohexylmethyl but-3-en-1-yl ester

InChI

InChI=1S/C16H26O4/c1-2-3-12-19-15(17)10-7-11-16(18)20-13-14-8-5-4-6-9-14/h2,14H,1,3-13H2

InChI Key

HRLARGAGVLBNLS-UHFFFAOYSA-N

Formula

C16H26O4

SMILES

C=CCCOC(=O)CCCC(=O)OCC1CCCCC1

Molecular Weight¹

282.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.49	kJ/mol	Joback Calculated Property
logPoct/wat	3.399		Crippen Calculated Property
McVol	236.020	ml/mol	McGowan Calculated Property
Inp	[2025.00; 2025.00]
Inp	2025.00		NIST
Inp	2025.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[329.65; 817.57]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.94340e+01
Coefficient B			1.51630e+00
Coefficient C			-7.61300e-04
Coefficient D			9.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.65	J/mol×K	273.00	Calculated Property
Cp,gas	415.79	J/mol×K	353.78	Calculated Property
Cp,gas	493.27	J/mol×K	434.56	Calculated Property
Cp,gas	562.38	J/mol×K	515.33	Calculated Property
Cp,gas	623.41	J/mol×K	596.11	Calculated Property
Cp,gas	676.65	J/mol×K	676.89	Calculated Property
Cp,gas	722.40	J/mol×K	757.67	Calculated Property
Cp,gas	760.94	J/mol×K	838.44	Calculated Property
Cp,gas	792.57	J/mol×K	919.22	Calculated Property
Cp,gas	817.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029217; 0.0001289]	Pa×s	[360.36; 625.10]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.32047e+01
Coefficient B			2.65555e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			360.36
Temperature range, max.			625.10
η	0.0029217	Pa×s	360.36	Calculated Property
η	0.0016754	Pa×s	389.78	Calculated Property
η	0.0010387	Pa×s	419.19	Calculated Property
η	0.0006856	Pa×s	448.61	Calculated Property
η	0.0004763	Pa×s	478.02	Calculated Property
η	0.0003452	Pa×s	507.44	Calculated Property
η	0.0002591	Pa×s	536.85	Calculated Property
η	0.0002004	Pa×s	566.27	Calculated Property
η	0.0001590	Pa×s	595.69	Calculated Property
η	0.0001289	Pa×s	625.10	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl but-3-en-1-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.