Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, isobutyl phenethyl ester

InChI

InChI=1S/C20H26O4/c1-15(2)14-24-20(22)18-11-7-6-10-17(18)19(21)23-13-12-16-8-4-3-5-9-16/h3-9,15,17-18H,10-14H2,1-2H3

InChI Key

KKNVKFIYBCSWKH-UHFFFAOYSA-N

Formula

C20H26O4

SMILES

CC(C)COC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

330.42

• 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).
• 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
ΔfG°	-193.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-622.72	kJ/mol	Joback Calculated Property
ΔfusH°	37.78	kJ/mol	Joback Calculated Property
ΔvapH°	80.73	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	3.554		Crippen Calculated Property
McVol	268.620	ml/mol	McGowan Calculated Property
Pc	1601.28	kPa	Joback Calculated Property
Inp	[2369.00; 2369.00]
Inp	2369.00		NIST
Inp	2369.00		NIST
Tboil	849.86	K	Joback Calculated Property
Tc	1072.21	K	Joback Calculated Property
Tfus	474.80	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[849.47; 928.55]	J/mol×K	[849.86; 1072.21]
Cp,gas	849.47	J/mol×K	849.86	Joback Calculated Property
Cp,gas	866.39	J/mol×K	886.92	Joback Calculated Property
Cp,gas	881.76	J/mol×K	923.98	Joback Calculated Property
Cp,gas	895.63	J/mol×K	961.03	Joback Calculated Property
Cp,gas	908.03	J/mol×K	998.09	Joback Calculated Property
Cp,gas	919.00	J/mol×K	1035.15	Joback Calculated Property
Cp,gas	928.55	J/mol×K	1072.21	Joback Calculated Property
η	[0.0000716; 0.0009512]	Pa×s	[474.80; 849.86]
η	0.0009512	Pa×s	474.80	Joback Calculated Property
η	0.0004811	Pa×s	537.31	Joback Calculated Property
η	0.0002804	Pa×s	599.82	Joback Calculated Property
η	0.0001810	Pa×s	662.33	Joback Calculated Property
η	0.0001260	Pa×s	724.84	Joback Calculated Property
η	0.0000929	Pa×s	787.35	Joback Calculated Property
η	0.0000716	Pa×s	849.86	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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