Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl hexyl ester

InChI

InChI=1S/C18H30O4/c1-3-5-7-10-14-22-18(20)16-12-9-8-11-15(16)17(19)21-13-6-4-2/h8-9,15-16H,3-7,10-14H2,1-2H3

InChI Key

MHCBQWPVRVTFML-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CCCCCCOC(=O)C1CC=CCC1C(=O)OCCCC

Molecular Weight¹

310.43

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7695		Relay (1.0) Calculated Property
ΔfH°gas	-855.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.08	kJ/mol	Joback Calculated Property
ΔvapH°	91.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	4.036		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
Pc	1428.30	kPa	Joback Calculated Property
Inp	[2097.00; 2097.00]
Inp	2097.00		NIST
Inp	2097.00		NIST
Tboil	598.67	K	Relay (1.0) Calculated Property
Tc	798.30	K	Relay (1.0) Calculated Property
Tfus	270.73	K	Relay (1.0) Calculated Property
Vc	0.964	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[822.16; 914.09]	J/mol×K	[777.86; 973.30]
Cp,gas	822.16	J/mol×K	777.86	Joback Calculated Property
Cp,gas	840.41	J/mol×K	810.43	Joback Calculated Property
Cp,gas	857.48	J/mol×K	843.01	Joback Calculated Property
Cp,gas	873.37	J/mol×K	875.58	Joback Calculated Property
Cp,gas	888.09	J/mol×K	908.15	Joback Calculated Property
Cp,gas	901.66	J/mol×K	940.73	Joback Calculated Property
Cp,gas	914.09	J/mol×K	973.30	Joback Calculated Property
η	[0.0000989; 0.0011808]	Pa×s	[440.84; 777.86]
η	0.0011808	Pa×s	440.84	Joback Calculated Property
η	0.0006185	Pa×s	497.01	Joback Calculated Property
η	0.0003694	Pa×s	553.18	Joback Calculated Property
η	0.0002426	Pa×s	609.35	Joback Calculated Property
η	0.0001711	Pa×s	665.52	Joback Calculated Property
η	0.0001274	Pa×s	721.69	Joback Calculated Property
η	0.0000989	Pa×s	777.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl hexyl ester.

Sources

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

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