Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(3-phenylpropyl) ester

InChI

InChI=1S/C26H30O4/c27-25(29-19-9-15-21-11-3-1-4-12-21)23-17-7-8-18-24(23)26(28)30-20-10-16-22-13-5-2-6-14-22/h1-8,11-14,23-24H,9-10,15-20H2

InChI Key

QEOKOWKFRDBMDS-UHFFFAOYSA-N

Formula

C26H30O4

SMILES

O=C(OCCCc1ccccc1)C1CC=CCC1C(=O)OCCCc1ccccc1

Molecular Weight¹

406.51

• 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°	-28.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-504.75	kJ/mol	Joback Calculated Property
ΔfusH°	50.88	kJ/mol	Joback Calculated Property
ΔvapH°	96.75	kJ/mol	Joback Calculated Property
log10WS	-5.90		Crippen Calculated Property
logPoct/wat	4.921		Crippen Calculated Property
McVol	329.400	ml/mol	McGowan Calculated Property
Pc	1320.39	kPa	Joback Calculated Property
Inp	[3213.00; 3213.00]
Inp	3213.00		NIST
Inp	3213.00		NIST
Tboil	1014.26	K	Joback Calculated Property
Tc	1253.65	K	Joback Calculated Property
Tfus	583.84	K	Joback Calculated Property
Vc	1.242	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1104.44; 1161.64]	J/mol×K	[1014.26; 1253.65]
Cp,gas	1104.44	J/mol×K	1014.26	Joback Calculated Property
Cp,gas	1118.10	J/mol×K	1054.16	Joback Calculated Property
Cp,gas	1130.00	J/mol×K	1094.06	Joback Calculated Property
Cp,gas	1140.23	J/mol×K	1133.96	Joback Calculated Property
Cp,gas	1148.86	J/mol×K	1173.85	Joback Calculated Property
Cp,gas	1155.97	J/mol×K	1213.75	Joback Calculated Property
Cp,gas	1161.64	J/mol×K	1253.65	Joback Calculated Property
η	[0.0000351; 0.0003981]	Pa×s	[583.84; 1014.26]
η	0.0003981	Pa×s	583.84	Joback Calculated Property
η	0.0002128	Pa×s	655.58	Joback Calculated Property
η	0.0001287	Pa×s	727.31	Joback Calculated Property
η	0.0000852	Pa×s	799.05	Joback Calculated Property
η	0.0000603	Pa×s	870.79	Joback Calculated Property
η	0.0000451	Pa×s	942.52	Joback Calculated Property
η	0.0000351	Pa×s	1014.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(3-phenylpropyl) ester.

Sources

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

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