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

InChI

InChI=1S/C18H30O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-6,13-16H,7-12H2,1-4H3

InChI Key

YUDDZCVBEWFWDE-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CC(C)CCOC(=O)C1CC=CCC1C(=O)OCCC(C)C

Molecular Weight¹

310.43

• 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).
• 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	-886.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.20	kJ/mol	Joback Calculated Property
ΔvapH°	87.56	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.29		Relay (1.0) Calculated Property
logPoct/wat	3.747		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
Pc	1359.63	kPa	Joback Calculated Property
Inp	[2012.00; 2012.00]
Inp	2012.00		NIST
Inp	2012.00		NIST
Tboil	594.29	K	Relay (1.0) Calculated Property
Tc	783.37	K	Relay (1.0) Calculated Property
Tfus	284.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[807.55; 904.17]	J/mol×K	[741.04; 936.86]
Cp,gas	807.55	J/mol×K	741.04	Joback Calculated Property
Cp,gas	826.88	J/mol×K	773.68	Joback Calculated Property
Cp,gas	844.90	J/mol×K	806.31	Joback Calculated Property
Cp,gas	861.62	J/mol×K	838.95	Joback Calculated Property
Cp,gas	877.06	J/mol×K	871.59	Joback Calculated Property
Cp,gas	891.24	J/mol×K	904.22	Joback Calculated Property
Cp,gas	904.17	J/mol×K	936.86	Joback Calculated Property
η	[0.0000659; 0.0034443]	Pa×s	[351.18; 741.04]
η	0.0034443	Pa×s	351.18	Joback Calculated Property
η	0.0010644	Pa×s	416.16	Joback Calculated Property
η	0.0004517	Pa×s	481.13	Joback Calculated Property
η	0.0002351	Pa×s	546.11	Joback Calculated Property
η	0.0001406	Pa×s	611.09	Joback Calculated Property
η	0.0000928	Pa×s	676.06	Joback Calculated Property
η	0.0000659	Pa×s	741.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(3-methylbutyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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