Chemical Properties of Succinic acid, cyclohexylmethyl 2,2,2-trichloroethyl ester

InChI

InChI=1S/C13H19Cl3O4/c14-13(15,16)9-20-12(18)7-6-11(17)19-8-10-4-2-1-3-5-10/h10H,1-9H2

InChI Key

BRZJJHSFYXYVSL-UHFFFAOYSA-N

Formula

C13H19Cl3O4

SMILES

O=C(CCC(=O)OCC(Cl)(Cl)Cl)OCC1CCCCC1

Molecular Weight¹

345.65

• 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	0.6669		Relay (1.0) Calculated Property
ΔfG°	-417.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-939.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.01	kJ/mol	Joback Calculated Property
ΔvapH°	87.34	kJ/mol	Relay (1.0) Calculated Property
IE	10.14	eV	Relay (1.0) Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	3.803		Crippen Calculated Property
McVol	234.770	ml/mol	McGowan Calculated Property
Pc	1956.14	kPa	Joback Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		NIST
Tboil	619.90	K	Relay (1.0) Calculated Property
Tc	824.30	K	Relay (1.0) Calculated Property
Tfus	329.62	K	Relay (1.0) Calculated Property
Vc	0.837	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[647.86; 716.40]	J/mol×K	[778.03; 999.99]
Cp,gas	647.86	J/mol×K	778.03	Joback Calculated Property
Cp,gas	662.12	J/mol×K	815.02	Joback Calculated Property
Cp,gas	675.21	J/mol×K	852.02	Joback Calculated Property
Cp,gas	687.14	J/mol×K	889.01	Joback Calculated Property
Cp,gas	697.95	J/mol×K	926.00	Joback Calculated Property
Cp,gas	707.70	J/mol×K	963.00	Joback Calculated Property
Cp,gas	716.40	J/mol×K	999.99	Joback Calculated Property
η	[0.0000787; 0.0009698]	Pa×s	[480.15; 778.03]
η	0.0009698	Pa×s	480.15	Joback Calculated Property
η	0.0005244	Pa×s	529.80	Joback Calculated Property
η	0.0003151	Pa×s	579.44	Joback Calculated Property
η	0.0002052	Pa×s	629.09	Joback Calculated Property
η	0.0001423	Pa×s	678.74	Joback Calculated Property
η	0.0001037	Pa×s	728.38	Joback Calculated Property
η	0.0000787	Pa×s	778.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 2,2,2-trichloroethyl ester.

Sources

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

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