Chemical Properties of Succinic acid, dodec-2-en-1-yl 3,3-dimethylbut-2-yl ester

InChI

InChI=1S/C22H40O4/c1-6-7-8-9-10-11-12-13-14-15-18-25-20(23)16-17-21(24)26-19(2)22(3,4)5/h14-15,19H,6-13,16-18H2,1-5H3/b15-14+

InChI Key

OAJHVMRTDIEMFS-CCEZHUSRSA-N

Formula

C22H40O4

SMILES

CCCCCCCCC/C=C/COC(=O)CCC(=O)OC(C)C(C)(C)C

Molecular Weight¹

368.56

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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
ΔfusH°	50.74	kJ/mol	Joback Calculated Property
ΔvapH°	102.21	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.985		Crippen Calculated Property
McVol	331.420	ml/mol	McGowan Calculated Property
Inp	[2434.00; 2434.00]
Inp	2434.00		NIST
Inp	2434.00		NIST
Tboil	608.68	K	Relay (1.0) Calculated Property
Tc	797.12	K	Relay (1.0) Calculated Property
Tfus	279.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation 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	[1050.01; 1145.30]	J/mol×K	[819.89; 1008.07]
Cp,gas	1050.01	J/mol×K	819.89	Joback Calculated Property
Cp,gas	1068.64	J/mol×K	851.25	Joback Calculated Property
Cp,gas	1086.11	J/mol×K	882.62	Joback Calculated Property
Cp,gas	1102.46	J/mol×K	913.98	Joback Calculated Property
Cp,gas	1117.75	J/mol×K	945.34	Joback Calculated Property
Cp,gas	1132.01	J/mol×K	976.71	Joback Calculated Property
Cp,gas	1145.30	J/mol×K	1008.07	Joback Calculated Property
η	[0.0000198; 0.0014193]	Pa×s	[404.70; 819.89]
η	0.0014193	Pa×s	404.70	Joback Calculated Property
η	0.0004138	Pa×s	473.90	Joback Calculated Property
η	0.0001652	Pa×s	543.10	Joback Calculated Property
η	0.0000811	Pa×s	612.29	Joback Calculated Property
η	0.0000460	Pa×s	681.49	Joback Calculated Property
η	0.0000290	Pa×s	750.69	Joback Calculated Property
η	0.0000198	Pa×s	819.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dodec-2-en-1-yl 3,3-dimethylbut-2-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.
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