Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl pentadecyl ester

InChI

InChI=1S/C31H56O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-25-34-30(32)28-23-19-20-24-29(28)31(33)35-26-27(6-3)22-8-5-2/h19-20,27-29H,4-18,21-26H2,1-3H3

InChI Key

KGCNLHMQBQEJBN-UHFFFAOYSA-N

Formula

C31H56O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC

Molecular Weight¹

492.77

• 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°	-213.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-1086.29	kJ/mol	Joback Calculated Property
ΔfusH°	72.22	kJ/mol	Joback Calculated Property
ΔvapH°	102.94	kJ/mol	Joback Calculated Property
log10WS	-9.55		Crippen Calculated Property
logPoct/wat	8.963		Crippen Calculated Property
McVol	447.370	ml/mol	McGowan Calculated Property
Pc	662.21	kPa	Joback Calculated Property
Inp	[3296.00; 3296.00]
Inp	3296.00		NIST
Inp	3296.00		NIST
Tboil	1074.86	K	Joback Calculated Property
Tc	1334.18	K	Joback Calculated Property
Tfus	572.35	K	Joback Calculated Property
Vc	1.732	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1636.73; 1723.04]	J/mol×K	[1074.86; 1334.18]
Cp,gas	1636.73	J/mol×K	1074.86	Joback Calculated Property
Cp,gas	1657.29	J/mol×K	1118.08	Joback Calculated Property
Cp,gas	1675.23	J/mol×K	1161.30	Joback Calculated Property
Cp,gas	1690.68	J/mol×K	1204.52	Joback Calculated Property
Cp,gas	1703.72	J/mol×K	1247.74	Joback Calculated Property
Cp,gas	1714.47	J/mol×K	1290.96	Joback Calculated Property
Cp,gas	1723.04	J/mol×K	1334.18	Joback Calculated Property
η	[0.0000136; 0.0003004]	Pa×s	[572.35; 1074.86]
η	0.0003004	Pa×s	572.35	Joback Calculated Property
η	0.0001291	Pa×s	656.10	Joback Calculated Property
η	0.0000672	Pa×s	739.85	Joback Calculated Property
η	0.0000400	Pa×s	823.61	Joback Calculated Property
η	0.0000261	Pa×s	907.36	Joback Calculated Property
η	0.0000184	Pa×s	991.11	Joback Calculated Property
η	0.0000136	Pa×s	1074.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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