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

• 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°	-123.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-782.56	kJ/mol	Joback Calculated Property
ΔfusH°	62.02	kJ/mol	Joback Calculated Property
ΔvapH°	98.92	kJ/mol	Joback Calculated Property
log10WS	-7.64		Crippen Calculated Property
logPoct/wat	6.819		Crippen Calculated Property
McVol	381.340	ml/mol	McGowan Calculated Property
Pc	932.35	kPa	Joback Calculated Property
Inp	[3230.00; 3230.00]
Inp	3230.00		NIST
Inp	3230.00		NIST
Tboil	1033.34	K	Joback Calculated Property
Tc	1265.11	K	Joback Calculated Property
Tfus	579.96	K	Joback Calculated Property
Vc	1.462	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1336.43; 1407.68]	J/mol×K	[1033.34; 1265.11]
Cp,gas	1336.43	J/mol×K	1033.34	Joback Calculated Property
Cp,gas	1352.72	J/mol×K	1071.97	Joback Calculated Property
Cp,gas	1367.15	J/mol×K	1110.60	Joback Calculated Property
Cp,gas	1379.79	J/mol×K	1149.23	Joback Calculated Property
Cp,gas	1390.71	J/mol×K	1187.85	Joback Calculated Property
Cp,gas	1399.98	J/mol×K	1226.48	Joback Calculated Property
Cp,gas	1407.68	J/mol×K	1265.11	Joback Calculated Property
η	[0.0000250; 0.0003519]	Pa×s	[579.96; 1033.34]
η	0.0003519	Pa×s	579.96	Joback Calculated Property
η	0.0001756	Pa×s	655.52	Joback Calculated Property
η	0.0001011	Pa×s	731.09	Joback Calculated Property
η	0.0000646	Pa×s	806.65	Joback Calculated Property
η	0.0000446	Pa×s	882.21	Joback Calculated Property
η	0.0000326	Pa×s	957.78	Joback Calculated Property
η	0.0000250	Pa×s	1033.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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