Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, phenethyl tridecyl ester

InChI

InChI=1S/C29H44O4/c1-2-3-4-5-6-7-8-9-10-11-17-23-32-28(30)26-20-15-16-21-27(26)29(31)33-24-22-25-18-13-12-14-19-25/h12-16,18-19,26-27H,2-11,17,20-24H2,1H3

InChI Key

VYSWASZPZUVTBG-UHFFFAOYSA-N

Formula

C29H44O4

SMILES

CCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

456.67

• ω : Acentric Factor.
• 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).
• 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	1.0968		Relay (1.0) Calculated Property
ΔfusH°	67.77	kJ/mol	Joback Calculated Property
ΔvapH°	137.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-7.08		Relay (1.0) Calculated Property
logPoct/wat	7.209		Crippen Calculated Property
McVol	395.430	ml/mol	McGowan Calculated Property
Pc	838.70	kPa	Joback Calculated Property
Inp	[3328.00; 3328.00]
Inp	3328.00		NIST
Inp	3328.00		NIST
Tboil	708.18	K	Relay (1.0) Calculated Property
Tc	928.34	K	Relay (1.0) Calculated Property
Tfus	305.99	K	Relay (1.0) Calculated Property
Vc	1.443	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1383.14; 1453.54]	J/mol×K	[1020.28; 1249.22]
Cp,gas	1383.14	J/mol×K	1020.28	Joback Calculated Property
Cp,gas	1399.53	J/mol×K	1058.44	Joback Calculated Property
Cp,gas	1413.96	J/mol×K	1096.59	Joback Calculated Property
Cp,gas	1426.50	J/mol×K	1134.75	Joback Calculated Property
Cp,gas	1437.23	J/mol×K	1172.91	Joback Calculated Property
Cp,gas	1446.21	J/mol×K	1211.06	Joback Calculated Property
Cp,gas	1453.54	J/mol×K	1249.22	Joback Calculated Property
η	[0.0000159; 0.0004208]	Pa×s	[531.57; 1020.28]
η	0.0004208	Pa×s	531.57	Joback Calculated Property
η	0.0001696	Pa×s	613.02	Joback Calculated Property
η	0.0000846	Pa×s	694.47	Joback Calculated Property
η	0.0000489	Pa×s	775.92	Joback Calculated Property
η	0.0000313	Pa×s	857.38	Joback Calculated Property
η	0.0000217	Pa×s	938.83	Joback Calculated Property
η	0.0000159	Pa×s	1020.28	Joback Calculated Property

Similar Compounds

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