Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl heptyl ester

InChI

InChI=1S/C21H28Cl2O4/c1-2-3-4-5-8-13-26-20(24)16-9-6-7-10-17(16)21(25)27-19-14-15(22)11-12-18(19)23/h11-12,14,16-17H,2-10,13H2,1H3

InChI Key

YCVKJHMWLMEYMW-UHFFFAOYSA-N

Formula

C21H28Cl2O4

SMILES

CCCCCCCOC(=O)C1CCCCC1C(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

415.35

• 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°	-255.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-750.28	kJ/mol	Joback Calculated Property
ΔfusH°	50.28	kJ/mol	Joback Calculated Property
ΔvapH°	93.14	kJ/mol	Joback Calculated Property
log10WS	-6.87		Crippen Calculated Property
logPoct/wat	6.219		Crippen Calculated Property
McVol	311.490	ml/mol	McGowan Calculated Property
Pc	1329.07	kPa	Joback Calculated Property
Inp	[2820.00; 2820.00]
Inp	2820.00		NIST
Inp	2820.00		NIST
Tboil	958.84	K	Joback Calculated Property
Tc	1186.32	K	Joback Calculated Property
Tfus	585.19	K	Joback Calculated Property
Vc	1.181	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[986.46; 1045.88]	J/mol×K	[958.84; 1186.32]
Cp,gas	986.46	J/mol×K	958.84	Joback Calculated Property
Cp,gas	1000.33	J/mol×K	996.75	Joback Calculated Property
Cp,gas	1012.58	J/mol×K	1034.67	Joback Calculated Property
Cp,gas	1023.23	J/mol×K	1072.58	Joback Calculated Property
Cp,gas	1032.31	J/mol×K	1110.49	Joback Calculated Property
Cp,gas	1039.85	J/mol×K	1148.40	Joback Calculated Property
Cp,gas	1045.88	J/mol×K	1186.32	Joback Calculated Property
η	[0.0000484; 0.0004012]	Pa×s	[585.19; 958.84]
η	0.0004012	Pa×s	585.19	Joback Calculated Property
η	0.0002381	Pa×s	647.47	Joback Calculated Property
η	0.0001548	Pa×s	709.74	Joback Calculated Property
η	0.0001079	Pa×s	772.01	Joback Calculated Property
η	0.0000794	Pa×s	834.29	Joback Calculated Property
η	0.0000610	Pa×s	896.56	Joback Calculated Property
η	0.0000484	Pa×s	958.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl heptyl ester.

Sources

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

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