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_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	0.7695		Relay (... Calculated Property
ΔfG°	-320.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-855.66	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.08	kJ/mol	Joback Calculated Property
ΔvapH°	90.78	kJ/mol	Relay (... Calculated Property
IE	9.14	eV	Relay (... Calculated Property
log10WS	-4.43		Relay (... 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 (... Calculated Property
Tc	794.51	K	Relay (... Calculated Property
Tfus	273.92	K	Relay (... Calculated Property
Vc	0.961	m3/kmol	Relay (... Calculated Property

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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