Chemical Properties of Succinic acid, 2,2-dichloroethyl cis-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C16H26Cl2O4/c1-16(2,3)11-4-6-12(7-5-11)22-15(20)9-8-14(19)21-10-13(17)18/h11-13H,4-10H2,1-3H3

InChI Key

CEQKWDHCYKDKFT-UHFFFAOYSA-N

Formula

C16H26Cl2O4

SMILES

CC(C)(C)C1CCC(OC(=O)CCC(=O)OCC(Cl)Cl)CC1

Molecular Weight¹

353.28

• 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	0.6990		Relay (1.0) Calculated Property
ΔfG°	-390.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-981.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.13	kJ/mol	Joback Calculated Property
ΔvapH°	94.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-4.76		Relay (1.0) Calculated Property
logPoct/wat	4.262		Crippen Calculated Property
McVol	264.800	ml/mol	McGowan Calculated Property
Pc	1553.67	kPa	Joback Calculated Property
Inp	[2267.00; 2267.00]
Inp	2267.00		NIST
Inp	2267.00		NIST
Tboil	617.44	K	Relay (1.0) Calculated Property
Tc	830.31	K	Relay (1.0) Calculated Property
Tfus	359.01	K	Relay (1.0) Calculated Property
Vc	0.920	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[794.26; 875.38]	J/mol×K	[804.13; 1018.60]
Cp,gas	794.26	J/mol×K	804.13	Joback Calculated Property
Cp,gas	810.99	J/mol×K	839.87	Joback Calculated Property
Cp,gas	826.39	J/mol×K	875.62	Joback Calculated Property
Cp,gas	840.50	J/mol×K	911.36	Joback Calculated Property
Cp,gas	853.34	J/mol×K	947.11	Joback Calculated Property
Cp,gas	864.96	J/mol×K	982.85	Joback Calculated Property
Cp,gas	875.38	J/mol×K	1018.60	Joback Calculated Property
η	[0.0000684; 0.0010914]	Pa×s	[464.80; 804.13]
η	0.0010914	Pa×s	464.80	Joback Calculated Property
η	0.0005355	Pa×s	521.36	Joback Calculated Property
η	0.0003020	Pa×s	577.91	Joback Calculated Property
η	0.0001886	Pa×s	634.46	Joback Calculated Property
η	0.0001273	Pa×s	691.02	Joback Calculated Property
η	0.0000911	Pa×s	747.58	Joback Calculated Property
η	0.0000684	Pa×s	804.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl cis-4-tert-butylcyclohexyl ester.

Sources

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

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