Chemical Properties of Glutaric acid, 8-chlorooctyl 4-nitrophenyl ester

InChI

InChI=1S/C19H26ClNO6/c20-14-5-3-1-2-4-6-15-26-18(22)8-7-9-19(23)27-17-12-10-16(11-13-17)21(24)25/h10-13H,1-9,14-15H2

InChI Key

IOROWLHSVHIXDE-UHFFFAOYSA-N

Formula

C19H26ClNO6

SMILES

O=C(CCCC(=O)Oc1ccc([N+](=O)[O-])cc1)OCCCCCCCCCl

Molecular Weight¹

399.87

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfH°gas	-842.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.91	kJ/mol	Joback Calculated Property
ΔvapH°	124.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
logPoct/wat	4.793		Crippen Calculated Property
McVol	299.350	ml/mol	McGowan Calculated Property
Inp	[3169.00; 3169.00]
Inp	3169.00		NIST
Inp	3169.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[940.10; 987.54]	J/mol×K	[971.69; 1195.39]
Cp,gas	940.10	J/mol×K	971.69	Joback Calculated Property
Cp,gas	951.28	J/mol×K	1008.97	Joback Calculated Property
Cp,gas	961.09	J/mol×K	1046.26	Joback Calculated Property
Cp,gas	969.58	J/mol×K	1083.54	Joback Calculated Property
Cp,gas	976.80	J/mol×K	1120.83	Joback Calculated Property
Cp,gas	982.77	J/mol×K	1158.11	Joback Calculated Property
Cp,gas	987.54	J/mol×K	1195.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-nitrophenyl 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.