Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 8-chlorooctyl ester

InChI

InChI=1S/C18H31ClO4/c1-16(2)12-15-23-18(21)11-9-10-17(20)22-14-8-6-4-3-5-7-13-19/h12H,3-11,13-15H2,1-2H3

InChI Key

ISGAKJDTIGNMEA-UHFFFAOYSA-N

Formula

C18H31ClO4

SMILES

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

Molecular Weight¹

346.89

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.9272		Relay (1.0) Calculated Property
ΔfG°	-307.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-971.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.04	kJ/mol	Joback Calculated Property
ΔvapH°	98.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	4.789		Crippen Calculated Property
McVol	287.300	ml/mol	McGowan Calculated Property
Pc	1245.09	kPa	Joback Calculated Property
Inp	[2469.00; 2469.00]
Inp	2469.00		NIST
Inp	2469.00		NIST
Tboil	618.86	K	Relay (1.0) Calculated Property
Tc	802.54	K	Relay (1.0) Calculated Property
Tfus	283.61	K	Relay (1.0) Calculated Property
Vc	1.060	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[855.33; 938.37]	J/mol×K	[805.29; 994.25]
Cp,gas	855.33	J/mol×K	805.29	Joback Calculated Property
Cp,gas	871.40	J/mol×K	836.78	Joback Calculated Property
Cp,gas	886.55	J/mol×K	868.28	Joback Calculated Property
Cp,gas	900.80	J/mol×K	899.77	Joback Calculated Property
Cp,gas	914.17	J/mol×K	931.26	Joback Calculated Property
Cp,gas	926.68	J/mol×K	962.75	Joback Calculated Property
Cp,gas	938.37	J/mol×K	994.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 8-chlorooctyl ester.

Sources

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

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