Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl tridecyl ester

InChI

InChI=1S/C28H41ClO4/c1-3-4-5-6-7-8-9-10-11-12-15-20-32-27(30)24-16-13-14-17-25(24)28(31)33-23-18-19-26(29)22(2)21-23/h13-14,18-19,21,24-25H,3-12,15-17,20H2,1-2H3

InChI Key

SKNFMLFECCEQPN-UHFFFAOYSA-N

Formula

C28H41ClO4

SMILES

CCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

477.08

• 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	1.0925		Relay (1.0) Calculated Property
ΔfG°	-155.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-894.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.44	kJ/mol	Joback Calculated Property
ΔvapH°	134.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-7.92		Relay (1.0) Calculated Property
logPoct/wat	7.990		Crippen Calculated Property
McVol	393.580	ml/mol	McGowan Calculated Property
Pc	895.34	kPa	Joback Calculated Property
Inp	[3422.00; 3422.00]
Inp	3422.00		NIST
Inp	3422.00		NIST
Tboil	708.59	K	Relay (1.0) Calculated Property
Tc	946.81	K	Relay (1.0) Calculated Property
Tfus	343.31	K	Relay (1.0) Calculated Property
Vc	1.423	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1357.68; 1414.07]	J/mol×K	[1080.73; 1323.82]
Cp,gas	1357.68	J/mol×K	1080.73	Joback Calculated Property
Cp,gas	1371.92	J/mol×K	1121.25	Joback Calculated Property
Cp,gas	1384.14	J/mol×K	1161.76	Joback Calculated Property
Cp,gas	1394.39	J/mol×K	1202.28	Joback Calculated Property
Cp,gas	1402.76	J/mol×K	1242.79	Joback Calculated Property
Cp,gas	1409.29	J/mol×K	1283.31	Joback Calculated Property
Cp,gas	1414.07	J/mol×K	1323.82	Joback Calculated Property
η	[0.0000222; 0.0002255]	Pa×s	[634.92; 1080.73]
η	0.0002255	Pa×s	634.92	Joback Calculated Property
η	0.0001252	Pa×s	709.22	Joback Calculated Property
η	0.0000777	Pa×s	783.52	Joback Calculated Property
η	0.0000524	Pa×s	857.83	Joback Calculated Property
η	0.0000376	Pa×s	932.13	Joback Calculated Property
η	0.0000284	Pa×s	1006.43	Joback Calculated Property
η	0.0000222	Pa×s	1080.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl tridecyl 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.