Chemical Properties of Glutaric acid, myrtenyl 8-chlorooctyl ester

InChI

InChI=1S/C23H37ClO4/c1-23(2)19-13-12-18(20(23)16-19)17-28-22(26)11-9-10-21(25)27-15-8-6-4-3-5-7-14-24/h12,19-20H,3-11,13-17H2,1-2H3

InChI Key

APPBDYAQVBBBNQ-UHFFFAOYSA-N

Formula

C23H37ClO4

SMILES

CC1(C)C2CC=C(COC(=O)CCCC(=O)OCCCCCCCCCl)C1C2

Molecular Weight¹

413.00

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	58.04	kJ/mol	Joback Calculated Property
logPoct/wat	5.815		Crippen Calculated Property
McVol	336.030	ml/mol	McGowan Calculated Property
Inp	[2970.00; 2970.00]
Inp	2970.00		NIST
Inp	2970.00		NIST
Tboil	655.65	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1112.47; 1226.91]	J/mol×K	[897.17; 1101.72]
Cp,gas	1112.47	J/mol×K	897.17	Joback Calculated Property
Cp,gas	1132.50	J/mol×K	931.26	Joback Calculated Property
Cp,gas	1151.97	J/mol×K	965.35	Joback Calculated Property
Cp,gas	1171.00	J/mol×K	999.44	Joback Calculated Property
Cp,gas	1189.75	J/mol×K	1033.54	Joback Calculated Property
Cp,gas	1208.34	J/mol×K	1067.63	Joback Calculated Property
Cp,gas	1226.91	J/mol×K	1101.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, myrtenyl 8-chlorooctyl 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.
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