Chemical Properties of 3-Cyclopentylpropionic acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C14H15Cl3O2/c15-10-7-12(17)13(8-11(10)16)19-14(18)6-5-9-3-1-2-4-9/h7-9H,1-6H2

InChI Key

XIBYBGGUAYSUMU-UHFFFAOYSA-N

Formula

C14H15Cl3O2

SMILES

O=C(CCC1CCCC1)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

321.63

• 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°	-82.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-361.71	kJ/mol	Joback Calculated Property
ΔfusH°	34.20	kJ/mol	Joback Calculated Property
ΔvapH°	73.59	kJ/mol	Joback Calculated Property
log10WS	-6.00		Crippen Calculated Property
logPoct/wat	5.523		Crippen Calculated Property
McVol	217.660	ml/mol	McGowan Calculated Property
Pc	2141.36	kPa	Joback Calculated Property
Inp	[2276.00; 2276.00]
Inp	2276.00		NIST
Inp	2276.00		NIST
Tboil	765.20	K	Joback Calculated Property
Tc	1003.27	K	Joback Calculated Property
Tfus	484.34	K	Joback Calculated Property
Vc	0.824	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.24; 630.27]	J/mol×K	[765.20; 1003.27]
Cp,gas	562.24	J/mol×K	765.20	Joback Calculated Property
Cp,gas	576.31	J/mol×K	804.88	Joback Calculated Property
Cp,gas	589.23	J/mol×K	844.56	Joback Calculated Property
Cp,gas	601.04	J/mol×K	884.24	Joback Calculated Property
Cp,gas	611.79	J/mol×K	923.92	Joback Calculated Property
Cp,gas	621.52	J/mol×K	963.59	Joback Calculated Property
Cp,gas	630.27	J/mol×K	1003.27	Joback Calculated Property
η	[0.0001676; 0.0009588]	Pa×s	[484.34; 765.20]
η	0.0009588	Pa×s	484.34	Joback Calculated Property
η	0.0006307	Pa×s	531.15	Joback Calculated Property
η	0.0004441	Pa×s	577.96	Joback Calculated Property
η	0.0003295	Pa×s	624.77	Joback Calculated Property
η	0.0002549	Pa×s	671.58	Joback Calculated Property
η	0.0002039	Pa×s	718.39	Joback Calculated Property
η	0.0001676	Pa×s	765.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic acid, 2,4,5-trichlorophenyl ester.

Sources

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

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