Chemical Properties of Glutaric acid, dodec-2-en-1-yl hexyl ester

InChI

InChI=1S/C23H42O4/c1-3-5-7-9-10-11-12-13-14-16-21-27-23(25)19-17-18-22(24)26-20-15-8-6-4-2/h14,16H,3-13,15,17-21H2,1-2H3/b16-14+

InChI Key

KQEUEEXNOZLUFN-JQIJEIRASA-N

Formula

C23H42O4

SMILES

CCCCCCCCCC=CCOC(=O)CCCC(=O)OCCCCCC

Molecular Weight¹

382.58

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1048.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.27	kJ/mol	Joback Calculated Property
ΔvapH°	110.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-6.09		Relay (1.0) Calculated Property
logPoct/wat	6.520		Crippen Calculated Property
McVol	345.510	ml/mol	McGowan Calculated Property
Pc	883.67	kPa	Joback Calculated Property
Inp	[2669.00; 2669.00]
Inp	2669.00		NIST
Inp	2669.00		NIST
Tboil	635.59	K	Relay (1.0) Calculated Property
Tc	813.26	K	Relay (1.0) Calculated Property
Tfus	259.57	K	Relay (1.0) Calculated Property

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	[1110.31; 1206.97]	J/mol×K	[846.44; 1036.43]
Cp,gas	1110.31	J/mol×K	846.44	Joback Calculated Property
Cp,gas	1129.34	J/mol×K	878.11	Joback Calculated Property
Cp,gas	1147.15	J/mol×K	909.77	Joback Calculated Property
Cp,gas	1163.78	J/mol×K	941.44	Joback Calculated Property
Cp,gas	1179.27	J/mol×K	973.10	Joback Calculated Property
Cp,gas	1193.65	J/mol×K	1004.77	Joback Calculated Property
Cp,gas	1206.97	J/mol×K	1036.43	Joback Calculated Property
η	[0.0000231; 0.0009579]	Pa×s	[428.55; 846.44]
η	0.0009579	Pa×s	428.55	Joback Calculated Property
η	0.0003338	Pa×s	498.20	Joback Calculated Property
η	0.0001506	Pa×s	567.85	Joback Calculated Property
η	0.0000809	Pa×s	637.49	Joback Calculated Property
η	0.0000491	Pa×s	707.14	Joback Calculated Property
η	0.0000326	Pa×s	776.79	Joback Calculated Property
η	0.0000231	Pa×s	846.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodec-2-en-1-yl hexyl ester.

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.
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