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

InChI

InChI=1S/C19H32O4/c1-3-5-7-11-15-23-19(21)17-13-9-8-12-16(17)18(20)22-14-10-6-4-2/h8-9,16-17H,3-7,10-15H2,1-2H3

InChI Key

KLVYOCASGORHKQ-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

CCCCCCOC(=O)C1CC=CCC1C(=O)OCCCCC

Molecular Weight¹

324.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	47.83	kJ/mol	Joback Calculated Property
ΔvapH°	94.75	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.74		Relay (1.0) Calculated Property
logPoct/wat	4.426		Crippen Calculated Property
McVol	278.290	ml/mol	McGowan Calculated Property
Pc	1253.92	kPa	Joback Calculated Property
Inp	[2190.00; 2190.00]
Inp	2190.00		NIST
Inp	2190.00		NIST
Tboil	607.09	K	Relay (1.0) Calculated Property
Tc	809.03	K	Relay (1.0) Calculated Property
Tfus	278.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.89; 976.21]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.54510e+01
Coefficient B			1.73884e+00
Coefficient C			-8.33480e-04
Coefficient D			8.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	398.89	J/mol×K	273.00	Calculated Property
Cp,gas	499.22	J/mol×K	353.78	Calculated Property
Cp,gas	589.86	J/mol×K	434.56	Calculated Property
Cp,gas	671.10	J/mol×K	515.33	Calculated Property
Cp,gas	743.20	J/mol×K	596.11	Calculated Property
Cp,gas	806.43	J/mol×K	676.89	Calculated Property
Cp,gas	861.08	J/mol×K	757.67	Calculated Property
Cp,gas	907.41	J/mol×K	838.44	Calculated Property
Cp,gas	945.69	J/mol×K	919.22	Calculated Property
Cp,gas	976.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018334; 0.0001115]	Pa×s	[392.45; 668.68]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.30788e+01
Coefficient B			2.65974e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			392.45
Temperature range, max.			668.68
η	0.0018334	Pa×s	392.45	Calculated Property
η	0.0011214	Pa×s	423.14	Calculated Property
η	0.0007331	Pa×s	453.83	Calculated Property
η	0.0005058	Pa×s	484.53	Calculated Property
η	0.0003647	Pa×s	515.22	Calculated Property
η	0.0002728	Pa×s	545.91	Calculated Property
η	0.0002105	Pa×s	576.60	Calculated Property
η	0.0001667	Pa×s	607.29	Calculated Property
η	0.0001351	Pa×s	637.98	Calculated Property
η	0.0001115	Pa×s	668.68	Calculated Property

Similar Compounds

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

Sources

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

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