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

InChI

InChI=1S/C24H26O4/c25-23(27-17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)24(26)28-18-16-20-11-5-2-6-12-20/h1-12,21-22H,13-18H2

InChI Key

YCHDRXYELNNBCE-UHFFFAOYSA-N

Formula

C24H26O4

SMILES

O=C(OCCc1ccccc1)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

378.46

• ω : Acentric Factor.
• 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).
• 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	0.7729		Relay (1.0) Calculated Property
ΔfG°	-45.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-479.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.70	kJ/mol	Joback Calculated Property
ΔvapH°	127.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-4.77		Relay (1.0) Calculated Property
logPoct/wat	4.141		Crippen Calculated Property
McVol	301.220	ml/mol	McGowan Calculated Property
Pc	1525.88	kPa	Joback Calculated Property
Inp	[2993.00; 2993.00]
Inp	2993.00		NIST
Inp	2993.00		NIST
Tboil	699.72	K	Relay (1.0) Calculated Property
Tc	955.74	K	Relay (1.0) Calculated Property
Tfus	343.82	K	Relay (1.0) Calculated Property
Vc	1.066	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[984.74; 1044.31]	J/mol×K	[968.50; 1209.18]
Cp,gas	984.74	J/mol×K	968.50	Joback Calculated Property
Cp,gas	998.80	J/mol×K	1008.61	Joback Calculated Property
Cp,gas	1011.11	J/mol×K	1048.73	Joback Calculated Property
Cp,gas	1021.75	J/mol×K	1088.84	Joback Calculated Property
Cp,gas	1030.78	J/mol×K	1128.95	Joback Calculated Property
Cp,gas	1038.27	J/mol×K	1169.07	Joback Calculated Property
Cp,gas	1044.31	J/mol×K	1209.18	Joback Calculated Property
η	[0.0000467; 0.0004965]	Pa×s	[561.30; 968.50]
η	0.0004965	Pa×s	561.30	Joback Calculated Property
η	0.0002708	Pa×s	629.17	Joback Calculated Property
η	0.0001662	Pa×s	697.03	Joback Calculated Property
η	0.0001112	Pa×s	764.90	Joback Calculated Property
η	0.0000795	Pa×s	832.77	Joback Calculated Property
η	0.0000598	Pa×s	900.63	Joback Calculated Property
η	0.0000467	Pa×s	968.50	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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