Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 3-methylbutyl ester

InChI

InChI=1S/C25H44O4/c1-4-5-6-7-8-9-10-11-12-15-19-28-24(26)22-16-13-14-17-23(22)25(27)29-20-18-21(2)3/h13-14,21-23H,4-12,15-20H2,1-3H3

InChI Key

JRNJKUJLVZLUOG-UHFFFAOYSA-N

Formula

C25H44O4

SMILES

CCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCC(C)C

Molecular Weight¹

408.62

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	59.85	kJ/mol	Joback Calculated Property
ΔvapH°	114.63	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	6.622		Crippen Calculated Property
McVol	362.830	ml/mol	McGowan Calculated Property
Inp	[2749.00; 2749.00]
Inp	2749.00		NIST
Inp	2749.00		NIST
Tboil	651.54	K	Relay (1.0) Calculated Property
Tc	851.99	K	Relay (1.0) Calculated Property
Tfus	294.40	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 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	[1234.19; 1327.00]	J/mol×K	[901.64; 1104.46]
Cp,gas	1234.19	J/mol×K	901.64	Joback Calculated Property
Cp,gas	1253.66	J/mol×K	935.44	Joback Calculated Property
Cp,gas	1271.48	J/mol×K	969.25	Joback Calculated Property
Cp,gas	1287.69	J/mol×K	1003.05	Joback Calculated Property
Cp,gas	1302.32	J/mol×K	1036.85	Joback Calculated Property
Cp,gas	1315.41	J/mol×K	1070.66	Joback Calculated Property
Cp,gas	1327.00	J/mol×K	1104.46	Joback Calculated Property
η	[0.0000260; 0.0010639]	Pa×s	[445.07; 901.64]
η	0.0010639	Pa×s	445.07	Joback Calculated Property
η	0.0003648	Pa×s	521.16	Joback Calculated Property
η	0.0001643	Pa×s	597.26	Joback Calculated Property
η	0.0000886	Pa×s	673.36	Joback Calculated Property
η	0.0000542	Pa×s	749.45	Joback Calculated Property
η	0.0000363	Pa×s	825.55	Joback Calculated Property
η	0.0000260	Pa×s	901.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 3-methylbutyl 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.