Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl pentyl ester

InChI

InChI=1S/C19H25BrO4/c1-2-3-6-13-23-18(21)16-7-4-5-8-17(16)19(22)24-15-11-9-14(20)10-12-15/h9-12,16-17H,2-8,13H2,1H3

InChI Key

DCMARCGMTSPYLT-UHFFFAOYSA-N

Formula

C19H25BrO4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(Br)cc1

Molecular Weight¹

397.30

• 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°	-224.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-639.72	kJ/mol	Joback Calculated Property
ΔfusH°	42.38	kJ/mol	Joback Calculated Property
ΔvapH°	85.69	kJ/mol	Joback Calculated Property
log10WS	-5.83		Crippen Calculated Property
logPoct/wat	4.894		Crippen Calculated Property
McVol	276.330	ml/mol	McGowan Calculated Property
Pc	1746.28	kPa	Joback Calculated Property
Inp	[2640.00; 2640.00]
Inp	2640.00		NIST
Inp	2640.00		NIST
Tboil	899.40	K	Joback Calculated Property
Tc	1129.84	K	Joback Calculated Property
Tfus	550.09	K	Joback Calculated Property
Vc	1.034	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[857.60; 925.68]	J/mol×K	[899.40; 1129.84]
Cp,gas	857.60	J/mol×K	899.40	Joback Calculated Property
Cp,gas	872.67	J/mol×K	937.81	Joback Calculated Property
Cp,gas	886.21	J/mol×K	976.21	Joback Calculated Property
Cp,gas	898.24	J/mol×K	1014.62	Joback Calculated Property
Cp,gas	908.81	J/mol×K	1053.03	Joback Calculated Property
Cp,gas	917.94	J/mol×K	1091.43	Joback Calculated Property
Cp,gas	925.68	J/mol×K	1129.84	Joback Calculated Property
η	[0.0000675; 0.0005532]	Pa×s	[550.09; 899.40]
η	0.0005532	Pa×s	550.09	Joback Calculated Property
η	0.0003294	Pa×s	608.31	Joback Calculated Property
η	0.0002148	Pa×s	666.53	Joback Calculated Property
η	0.0001500	Pa×s	724.74	Joback Calculated Property
η	0.0001105	Pa×s	782.96	Joback Calculated Property
η	0.0000849	Pa×s	841.18	Joback Calculated Property
η	0.0000675	Pa×s	899.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl pentyl 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.