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

• 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	0.8783		Relay (1.0) Calculated Property
ΔfG°	-283.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-985.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.98	kJ/mol	Joback Calculated Property
ΔvapH°	102.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-5.65		Relay (1.0) 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	636.27	K	Relay (1.0) Calculated Property
Tc	832.33	K	Relay (1.0) Calculated Property
Tfus	285.86	K	Relay (1.0) Calculated Property
Vc	1.206	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.