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

InChI

InChI=1S/C25H36O4/c1-2-3-4-5-6-12-19-28-24(26)22-17-10-11-18-23(22)25(27)29-20-13-16-21-14-8-7-9-15-21/h7-11,14-15,22-23H,2-6,12-13,16-20H2,1H3

InChI Key

CKDJCSRGZMURBA-UHFFFAOYSA-N

Formula

C25H36O4

SMILES

CCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCc1ccccc1

Molecular Weight¹

400.55

• 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°	-149.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-720.64	kJ/mol	Joback Calculated Property
ΔfusH°	54.25	kJ/mol	Joback Calculated Property
ΔvapH°	92.24	kJ/mol	Joback Calculated Property
log10WS	-6.38		Crippen Calculated Property
logPoct/wat	5.649		Crippen Calculated Property
McVol	339.070	ml/mol	McGowan Calculated Property
Pc	1120.80	kPa	Joback Calculated Property
Inp	[2912.00; 2912.00]
Inp	2912.00		NIST
Inp	2912.00		NIST
Tboil	964.70	K	Joback Calculated Property
Tc	1185.25	K	Joback Calculated Property
Tfus	546.15	K	Joback Calculated Property
Vc	1.294	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1150.29; 1224.78]	J/mol×K	[964.70; 1185.25]
Cp,gas	1150.29	J/mol×K	964.70	Joback Calculated Property
Cp,gas	1166.67	J/mol×K	1001.46	Joback Calculated Property
Cp,gas	1181.39	J/mol×K	1038.22	Joback Calculated Property
Cp,gas	1194.51	J/mol×K	1074.97	Joback Calculated Property
Cp,gas	1206.08	J/mol×K	1111.73	Joback Calculated Property
Cp,gas	1216.15	J/mol×K	1148.49	Joback Calculated Property
Cp,gas	1224.78	J/mol×K	1185.25	Joback Calculated Property
η	[0.0000389; 0.0005009]	Pa×s	[546.15; 964.70]
η	0.0005009	Pa×s	546.15	Joback Calculated Property
η	0.0002572	Pa×s	615.91	Joback Calculated Property
η	0.0001512	Pa×s	685.67	Joback Calculated Property
η	0.0000981	Pa×s	755.42	Joback Calculated Property
η	0.0000684	Pa×s	825.18	Joback Calculated Property
η	0.0000505	Pa×s	894.94	Joback Calculated Property
η	0.0000389	Pa×s	964.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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