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

InChI

InChI=1S/C19H32O4/c1-4-5-6-9-13-22-18(20)16-10-7-8-11-17(16)19(21)23-14-12-15(2)3/h7-8,15-17H,4-6,9-14H2,1-3H3

InChI Key

YQFPEDBYLQODPK-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

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

Molecular Weight¹

324.45

• 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	0.7673		Relay (1.0) Calculated Property
ΔfG°	-314.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-893.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.14	kJ/mol	Joback Calculated Property
ΔvapH°	90.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-4.67		Relay (1.0) Calculated Property
logPoct/wat	4.282		Crippen Calculated Property
McVol	278.290	ml/mol	McGowan Calculated Property
Pc	1337.84	kPa	Joback Calculated Property
Inp	[2150.00; 2150.00]
Inp	2150.00		NIST
Inp	2150.00		NIST
Tboil	607.23	K	Relay (1.0) Calculated Property
Tc	796.65	K	Relay (1.0) Calculated Property
Tfus	276.93	K	Relay (1.0) Calculated Property
Vc	1.008	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[881.99; 974.75]	J/mol×K	[800.30; 997.70]
Cp,gas	881.99	J/mol×K	800.30	Joback Calculated Property
Cp,gas	900.57	J/mol×K	833.20	Joback Calculated Property
Cp,gas	917.88	J/mol×K	866.10	Joback Calculated Property
Cp,gas	933.94	J/mol×K	899.00	Joback Calculated Property
Cp,gas	948.76	J/mol×K	931.90	Joback Calculated Property
Cp,gas	962.35	J/mol×K	964.80	Joback Calculated Property
Cp,gas	974.75	J/mol×K	997.70	Joback Calculated Property
η	[0.0000798; 0.0012563]	Pa×s	[437.11; 800.30]
η	0.0012563	Pa×s	437.11	Joback Calculated Property
η	0.0006002	Pa×s	497.64	Joback Calculated Property
η	0.0003365	Pa×s	558.17	Joback Calculated Property
η	0.0002113	Pa×s	618.71	Joback Calculated Property
η	0.0001442	Pa×s	679.24	Joback Calculated Property
η	0.0001047	Pa×s	739.77	Joback Calculated Property
η	0.0000798	Pa×s	800.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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