Chemical Properties of Glutaric acid, 8-chlorooctyl 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C20H37ClO4/c1-16(2)20(17(3)4)25-19(23)13-11-12-18(22)24-15-10-8-6-5-7-9-14-21/h16-17,20H,5-15H2,1-4H3

InChI Key

ZBZHEFBCOQBFIC-UHFFFAOYSA-N

Formula

C20H37ClO4

SMILES

CC(C)C(OC(=O)CCCC(=O)OCCCCCCCCCl)C(C)C

Molecular Weight¹

376.96

• 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	0.9845		Relay (1.0) Calculated Property
ΔfG°	-369.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1112.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.76	kJ/mol	Joback Calculated Property
ΔvapH°	98.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	5.503		Crippen Calculated Property
McVol	319.780	ml/mol	McGowan Calculated Property
Pc	1068.66	kPa	Joback Calculated Property
Inp	[2508.00; 2508.00]
Inp	2508.00		NIST
Inp	2508.00		NIST
Tboil	624.00	K	Relay (1.0) Calculated Property
Tc	809.23	K	Relay (1.0) Calculated Property
Tfus	270.69	K	Relay (1.0) Calculated Property
Vc	1.166	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1002.27; 1090.53]	J/mol×K	[845.69; 1038.40]
Cp,gas	1002.27	J/mol×K	845.69	Joback Calculated Property
Cp,gas	1019.77	J/mol×K	877.81	Joback Calculated Property
Cp,gas	1036.12	J/mol×K	909.93	Joback Calculated Property
Cp,gas	1051.36	J/mol×K	942.05	Joback Calculated Property
Cp,gas	1065.49	J/mol×K	974.16	Joback Calculated Property
Cp,gas	1078.54	J/mol×K	1006.28	Joback Calculated Property
Cp,gas	1090.53	J/mol×K	1038.40	Joback Calculated Property
η	[0.0000351; 0.0010858]	Pa×s	[444.40; 845.69]
η	0.0010858	Pa×s	444.40	Joback Calculated Property
η	0.0004215	Pa×s	511.28	Joback Calculated Property
η	0.0002036	Pa×s	578.16	Joback Calculated Property
η	0.0001144	Pa×s	645.05	Joback Calculated Property
η	0.0000716	Pa×s	711.93	Joback Calculated Property
η	0.0000486	Pa×s	778.81	Joback Calculated Property
η	0.0000351	Pa×s	845.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl 2,4-dimethylpent-3-yl ester.

Sources

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

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