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

InChI

InChI=1S/C23H40O4/c1-5-7-8-9-10-11-14-17-26-22(24)19-15-12-13-16-20(19)23(25)27-21(6-2)18(3)4/h12-13,18-21H,5-11,14-17H2,1-4H3

InChI Key

KBYJXEYLFUSFEA-UHFFFAOYSA-N

Formula

C23H40O4

SMILES

CCCCCCCCCOC(=O)C1CC=CCC1C(=O)OC(CC)C(C)C

Molecular Weight¹

380.56

• 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°	-283.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-926.45	kJ/mol	Joback Calculated Property
ΔfusH°	47.98	kJ/mol	Joback Calculated Property
ΔvapH°	84.74	kJ/mol	Joback Calculated Property
log10WS	-6.31		Crippen Calculated Property
logPoct/wat	5.840		Crippen Calculated Property
McVol	334.650	ml/mol	McGowan Calculated Property
Pc	1033.90	kPa	Joback Calculated Property
Inp	[2533.00; 2533.00]
Inp	2533.00		NIST
Inp	2533.00		NIST
Tboil	891.38	K	Joback Calculated Property
Tc	1095.04	K	Joback Calculated Property
Tfus	467.19	K	Joback Calculated Property
Vc	1.278	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1126.93; 1218.86]	J/mol×K	[891.38; 1095.04]
Cp,gas	1126.93	J/mol×K	891.38	Joback Calculated Property
Cp,gas	1145.94	J/mol×K	925.32	Joback Calculated Property
Cp,gas	1163.43	J/mol×K	959.27	Joback Calculated Property
Cp,gas	1179.44	J/mol×K	993.21	Joback Calculated Property
Cp,gas	1194.00	J/mol×K	1027.15	Joback Calculated Property
Cp,gas	1207.13	J/mol×K	1061.09	Joback Calculated Property
Cp,gas	1218.86	J/mol×K	1095.04	Joback Calculated Property
η	[0.0000419; 0.0009548]	Pa×s	[467.19; 891.38]
η	0.0009548	Pa×s	467.19	Joback Calculated Property
η	0.0004027	Pa×s	537.89	Joback Calculated Property
η	0.0002075	Pa×s	608.59	Joback Calculated Property
η	0.0001228	Pa×s	679.28	Joback Calculated Property
η	0.0000802	Pa×s	749.98	Joback Calculated Property
η	0.0000564	Pa×s	820.68	Joback Calculated Property
η	0.0000419	Pa×s	891.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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