Chemical Properties of Pimelic acid, 4-chloro-3-methylphenyl heptyl ester

InChI

InChI=1S/C21H31ClO4/c1-3-4-5-6-10-15-25-20(23)11-8-7-9-12-21(24)26-18-13-14-19(22)17(2)16-18/h13-14,16H,3-12,15H2,1-2H3

InChI Key

JDDZIAPEKCYALM-UHFFFAOYSA-N

Formula

C21H31ClO4

SMILES

CCCCCCCOC(=O)CCCCCC(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

382.92

• 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	1.0453		Relay (1.0) Calculated Property
ΔfG°	-260.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-908.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.18	kJ/mol	Joback Calculated Property
ΔvapH°	107.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-6.28		Relay (1.0) Calculated Property
logPoct/wat	6.018		Crippen Calculated Property
McVol	310.110	ml/mol	McGowan Calculated Property
Pc	1207.31	kPa	Joback Calculated Property
Inp	[2869.00; 2869.00]
Inp	2869.00		NIST
Inp	2869.00		NIST
Tboil	652.66	K	Relay (1.0) Calculated Property
Tc	863.05	K	Relay (1.0) Calculated Property
Tfus	313.43	K	Relay (1.0) Calculated Property
Vc	1.159	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[963.52; 1036.30]	J/mol×K	[906.53; 1114.56]
Cp,gas	963.52	J/mol×K	906.53	Joback Calculated Property
Cp,gas	978.62	J/mol×K	941.20	Joback Calculated Property
Cp,gas	992.49	J/mol×K	975.87	Joback Calculated Property
Cp,gas	1005.17	J/mol×K	1010.55	Joback Calculated Property
Cp,gas	1016.69	J/mol×K	1045.22	Joback Calculated Property
Cp,gas	1027.05	J/mol×K	1079.89	Joback Calculated Property
Cp,gas	1036.30	J/mol×K	1114.56	Joback Calculated Property
η	[0.0000416; 0.0003804]	Pa×s	[552.13; 906.53]
η	0.0003804	Pa×s	552.13	Joback Calculated Property
η	0.0002201	Pa×s	611.20	Joback Calculated Property
η	0.0001402	Pa×s	670.26	Joback Calculated Property
η	0.0000961	Pa×s	729.33	Joback Calculated Property
η	0.0000697	Pa×s	788.40	Joback Calculated Property
η	0.0000529	Pa×s	847.46	Joback Calculated Property
η	0.0000416	Pa×s	906.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 4-chloro-3-methylphenyl heptyl ester.

Sources

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

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