Chemical Properties of Pimelic acid, 2-chlorophenyl 4-methyl-2-pentyl ester

InChI

InChI=1S/C19H27ClO4/c1-14(2)13-15(3)23-18(21)11-5-4-6-12-19(22)24-17-10-8-7-9-16(17)20/h7-10,14-15H,4-6,11-13H2,1-3H3

InChI Key

BYXRTOPGNFLPLV-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

CC(C)CC(C)OC(=O)CCCCCC(=O)Oc1ccccc1Cl

Molecular Weight¹

354.87

• 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	0.8884		Relay (1.0) Calculated Property
ΔfG°	-272.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-869.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.34	kJ/mol	Joback Calculated Property
ΔvapH°	98.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-5.06		Relay (1.0) Calculated Property
logPoct/wat	5.174		Crippen Calculated Property
McVol	281.930	ml/mol	McGowan Calculated Property
Pc	1418.64	kPa	Joback Calculated Property
Inp	[2434.00; 2434.00]
Inp	2434.00		NIST
Inp	2434.00		NIST
Tboil	612.97	K	Relay (1.0) Calculated Property
Tc	839.00	K	Relay (1.0) Calculated Property
Tfus	301.48	K	Relay (1.0) Calculated Property
Vc	1.029	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[847.35; 920.25]	J/mol×K	[854.91; 1063.12]
Cp,gas	847.35	J/mol×K	854.91	Joback Calculated Property
Cp,gas	862.34	J/mol×K	889.61	Joback Calculated Property
Cp,gas	876.17	J/mol×K	924.31	Joback Calculated Property
Cp,gas	888.84	J/mol×K	959.02	Joback Calculated Property
Cp,gas	900.40	J/mol×K	993.72	Joback Calculated Property
Cp,gas	910.86	J/mol×K	1028.42	Joback Calculated Property
Cp,gas	920.25	J/mol×K	1063.12	Joback Calculated Property
η	[0.0000458; 0.0006863]	Pa×s	[487.07; 854.91]
η	0.0006863	Pa×s	487.07	Joback Calculated Property
η	0.0003396	Pa×s	548.38	Joback Calculated Property
η	0.0001936	Pa×s	609.68	Joback Calculated Property
η	0.0001223	Pa×s	670.99	Joback Calculated Property
η	0.0000834	Pa×s	732.30	Joback Calculated Property
η	0.0000604	Pa×s	793.60	Joback Calculated Property
η	0.0000458	Pa×s	854.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 2-chlorophenyl 4-methyl-2-pentyl ester.

Sources

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

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