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

InChI

InChI=1S/C28H42O4/c1-2-3-4-5-6-7-8-9-10-16-22-31-27(29)25-19-14-15-20-26(25)28(30)32-23-21-24-17-12-11-13-18-24/h11-15,17-18,25-26H,2-10,16,19-23H2,1H3

InChI Key

YTLIJTANWIJLSK-UHFFFAOYSA-N

Formula

C28H42O4

SMILES

CCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

442.63

• 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	1.0597		Relay (1.0) Calculated Property
ΔfusH°	65.18	kJ/mol	Joback Calculated Property
ΔvapH°	133.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-6.80		Relay (1.0) Calculated Property
logPoct/wat	6.819		Crippen Calculated Property
McVol	381.340	ml/mol	McGowan Calculated Property
Pc	887.35	kPa	Joback Calculated Property
Inp	[3230.00; 3230.00]
Inp	3230.00		NIST
Inp	3230.00		NIST
Tboil	701.60	K	Relay (1.0) Calculated Property
Tc	921.81	K	Relay (1.0) Calculated Property
Tfus	304.18	K	Relay (1.0) Calculated Property
Vc	1.389	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	[1320.79; 1392.68]	J/mol×K	[997.40; 1221.26]
Cp,gas	1320.79	J/mol×K	997.40	Joback Calculated Property
Cp,gas	1337.24	J/mol×K	1034.71	Joback Calculated Property
Cp,gas	1351.82	J/mol×K	1072.02	Joback Calculated Property
Cp,gas	1364.58	J/mol×K	1109.33	Joback Calculated Property
Cp,gas	1375.60	J/mol×K	1146.64	Joback Calculated Property
Cp,gas	1384.94	J/mol×K	1183.95	Joback Calculated Property
Cp,gas	1392.68	J/mol×K	1221.26	Joback Calculated Property
η	[0.0000186; 0.0004816]	Pa×s	[520.30; 997.40]
η	0.0004816	Pa×s	520.30	Joback Calculated Property
η	0.0001954	Pa×s	599.82	Joback Calculated Property
η	0.0000979	Pa×s	679.33	Joback Calculated Property
η	0.0000567	Pa×s	758.85	Joback Calculated Property
η	0.0000364	Pa×s	838.37	Joback Calculated Property
η	0.0000253	Pa×s	917.88	Joback Calculated Property
η	0.0000186	Pa×s	997.40	Joback Calculated Property

Similar Compounds

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