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

InChI

InChI=1S/C22H38O4/c1-4-5-6-7-8-9-12-16-25-21(23)19-13-10-11-14-20(19)22(24)26-17-15-18(2)3/h10-11,18-20H,4-9,12-17H2,1-3H3

InChI Key

YUFNOQZUWJOJQV-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

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

Molecular Weight¹

366.53

• 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°	-289.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-900.53	kJ/mol	Joback Calculated Property
ΔfusH°	48.91	kJ/mol	Joback Calculated Property
ΔvapH°	82.90	kJ/mol	Joback Calculated Property
log10WS	-5.78		Crippen Calculated Property
logPoct/wat	5.452		Crippen Calculated Property
McVol	320.560	ml/mol	McGowan Calculated Property
Pc	1094.99	kPa	Joback Calculated Property
Inp	[2445.00; 2445.00]
Inp	2445.00		NIST
Inp	2445.00		NIST
Tboil	868.94	K	Joback Calculated Property
Tc	1069.26	K	Joback Calculated Property
Tfus	470.92	K	Joback Calculated Property
Vc	1.228	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1064.43; 1156.67]	J/mol×K	[868.94; 1069.26]
Cp,gas	1064.43	J/mol×K	868.94	Joback Calculated Property
Cp,gas	1083.28	J/mol×K	902.33	Joback Calculated Property
Cp,gas	1100.70	J/mol×K	935.71	Joback Calculated Property
Cp,gas	1116.73	J/mol×K	969.10	Joback Calculated Property
Cp,gas	1131.38	J/mol×K	1002.48	Joback Calculated Property
Cp,gas	1144.69	J/mol×K	1035.87	Joback Calculated Property
Cp,gas	1156.67	J/mol×K	1069.26	Joback Calculated Property
η	[0.0000529; 0.0009203]	Pa×s	[470.92; 868.94]
η	0.0009203	Pa×s	470.92	Joback Calculated Property
η	0.0004261	Pa×s	537.26	Joback Calculated Property
η	0.0002336	Pa×s	603.59	Joback Calculated Property
η	0.0001443	Pa×s	669.93	Joback Calculated Property
η	0.0000972	Pa×s	736.27	Joback Calculated Property
η	0.0000699	Pa×s	802.60	Joback Calculated Property
η	0.0000529	Pa×s	868.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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