Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl phenethyl ester

InChI

InChI=1S/C23H32O4/c1-2-3-4-5-11-17-26-22(24)20-14-9-10-15-21(20)23(25)27-18-16-19-12-7-6-8-13-19/h6-10,12-13,20-21H,2-5,11,14-18H2,1H3

InChI Key

ITJVMDIEDMSPCX-UHFFFAOYSA-N

Formula

C23H32O4

SMILES

CCCCCCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

372.50

• 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°	-165.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-679.36	kJ/mol	Joback Calculated Property
ΔfusH°	49.07	kJ/mol	Joback Calculated Property
ΔvapH°	87.79	kJ/mol	Joback Calculated Property
log10WS	-5.54		Crippen Calculated Property
logPoct/wat	4.868		Crippen Calculated Property
McVol	310.890	ml/mol	McGowan Calculated Property
Pc	1280.08	kPa	Joback Calculated Property
Inp	[2710.00; 2710.00]
Inp	2710.00		NIST
Inp	2710.00		NIST
Tboil	918.94	K	Joback Calculated Property
Tc	1136.69	K	Joback Calculated Property
Tfus	523.61	K	Joback Calculated Property
Vc	1.181	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1028.16; 1104.55]	J/mol×K	[918.94; 1136.69]
Cp,gas	1028.16	J/mol×K	918.94	Joback Calculated Property
Cp,gas	1044.66	J/mol×K	955.23	Joback Calculated Property
Cp,gas	1059.60	J/mol×K	991.52	Joback Calculated Property
Cp,gas	1073.02	J/mol×K	1027.82	Joback Calculated Property
Cp,gas	1084.95	J/mol×K	1064.11	Joback Calculated Property
Cp,gas	1095.45	J/mol×K	1100.40	Joback Calculated Property
Cp,gas	1104.55	J/mol×K	1136.69	Joback Calculated Property
η	[0.0000519; 0.0006237]	Pa×s	[523.61; 918.94]
η	0.0006237	Pa×s	523.61	Joback Calculated Property
η	0.0003268	Pa×s	589.50	Joback Calculated Property
η	0.0001951	Pa×s	655.39	Joback Calculated Property
η	0.0001279	Pa×s	721.28	Joback Calculated Property
η	0.0000900	Pa×s	787.16	Joback Calculated Property
η	0.0000669	Pa×s	853.05	Joback Calculated Property
η	0.0000519	Pa×s	918.94	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.