Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, heptyl 4-methoxyphenyl ester

InChI

InChI=1S/C22H32O5/c1-3-4-5-6-9-16-26-21(23)19-10-7-8-11-20(19)22(24)27-18-14-12-17(25-2)13-15-18/h12-15,19-20H,3-11,16H2,1-2H3

InChI Key

BIROOVPAKYONCK-UHFFFAOYSA-N

Formula

C22H32O5

SMILES

CCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(OC)cc1

Molecular Weight¹

376.49

• 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	0.9481		Relay (... Calculated Property
ΔfG°	-318.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-936.17	kJ/mol	Relay (... Calculated Property
ΔfusH°	46.06	kJ/mol	Joback Calculated Property
ΔvapH°	110.99	kJ/mol	Relay (... Calculated Property
IE	8.20	eV	Relay (... Calculated Property
log10WS	-5.59		Relay (... Calculated Property
logPoct/wat	4.921		Crippen Calculated Property
McVol	306.970	ml/mol	McGowan Calculated Property
Pc	1306.12	kPa	Joback Calculated Property
Inp	[2794.00; 2794.00]
Inp	2794.00		NIST
Inp	2794.00		NIST
Tboil	673.99	K	Relay (... Calculated Property
Tc	905.21	K	Relay (... Calculated Property
Tfus	341.86	K	Relay (... Calculated Property
Vc	1.114	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1026.24; 1098.04]	J/mol×K	[924.30; 1142.61]
Cp,gas	1026.24	J/mol×K	924.30	Joback Calculated Property
Cp,gas	1042.45	J/mol×K	960.68	Joback Calculated Property
Cp,gas	1056.94	J/mol×K	997.07	Joback Calculated Property
Cp,gas	1069.73	J/mol×K	1033.45	Joback Calculated Property
Cp,gas	1080.84	J/mol×K	1069.84	Joback Calculated Property
Cp,gas	1090.27	J/mol×K	1106.22	Joback Calculated Property
Cp,gas	1098.04	J/mol×K	1142.61	Joback Calculated Property
η	[0.0000418; 0.0004256]	Pa×s	[546.33; 924.30]
η	0.0004256	Pa×s	546.33	Joback Calculated Property
η	0.0002367	Pa×s	609.32	Joback Calculated Property
η	0.0001470	Pa×s	672.32	Joback Calculated Property
η	0.0000990	Pa×s	735.31	Joback Calculated Property
η	0.0000710	Pa×s	798.31	Joback Calculated Property
η	0.0000535	Pa×s	861.30	Joback Calculated Property
η	0.0000418	Pa×s	924.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptyl 4-methoxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• 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.