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

InChI

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

InChI Key

PSAAZDDIHFLLQU-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CCCCOC(=O)C1CC=CCC1C(=O)OCC(CC)CC

Molecular Weight¹

310.43

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.7101		Relay (1.0) Calculated Property
ΔfG°	-322.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-882.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.55	kJ/mol	Joback Calculated Property
ΔvapH°	89.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-4.27		Relay (1.0) Calculated Property
logPoct/wat	3.891		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
Pc	1436.98	kPa	Joback Calculated Property
Inp	[2047.00; 2047.00]
Inp	2047.00		NIST
Inp	2047.00		NIST
Tboil	599.38	K	Relay (1.0) Calculated Property
Tc	790.56	K	Relay (1.0) Calculated Property
Tfus	245.88	K	Relay (1.0) Calculated Property
Vc	0.937	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[822.66; 915.36]	J/mol×K	[777.42; 975.18]
Cp,gas	822.66	J/mol×K	777.42	Joback Calculated Property
Cp,gas	841.13	J/mol×K	810.38	Joback Calculated Property
Cp,gas	858.38	J/mol×K	843.34	Joback Calculated Property
Cp,gas	874.42	J/mol×K	876.30	Joback Calculated Property
Cp,gas	889.25	J/mol×K	909.26	Joback Calculated Property
Cp,gas	902.89	J/mol×K	942.22	Joback Calculated Property
Cp,gas	915.36	J/mol×K	975.18	Joback Calculated Property
η	[0.0000910; 0.0013807]	Pa×s	[425.84; 777.42]
η	0.0013807	Pa×s	425.84	Joback Calculated Property
η	0.0006672	Pa×s	484.44	Joback Calculated Property
η	0.0003772	Pa×s	543.03	Joback Calculated Property
η	0.0002383	Pa×s	601.63	Joback Calculated Property
η	0.0001633	Pa×s	660.23	Joback Calculated Property
η	0.0001191	Pa×s	718.82	Joback Calculated Property
η	0.0000910	Pa×s	777.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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