Chemical Properties of 5-Chlorovaleric acid, 3-methylbut-2-enyl ester

InChI

InChI=1S/C10H17ClO2/c1-9(2)6-8-13-10(12)5-3-4-7-11/h6H,3-5,7-8H2,1-2H3

InChI Key

VWQQVHCGEXKURD-UHFFFAOYSA-N

Formula

C10H17ClO2

SMILES

CC(C)=CCOC(=O)CCCCCl

Molecular Weight¹

204.69

• 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).
• 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°	-140.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-402.84	kJ/mol	Joback Calculated Property
ΔfusH°	27.53	kJ/mol	Joback Calculated Property
ΔvapH°	51.43	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.905		Crippen Calculated Property
McVol	167.140	ml/mol	McGowan Calculated Property
Pc	2241.88	kPa	Joback Calculated Property
Inp	[1459.90; 1459.90]
Inp	1459.90		NIST
Inp	1459.90		NIST
Tboil	545.96	K	Joback Calculated Property
Tc	733.86	K	Joback Calculated Property
Tfus	285.50	K	Joback Calculated Property
Vc	0.649	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[379.70; 451.04]	J/mol×K	[545.96; 733.86]
Cp,gas	379.70	J/mol×K	545.96	Joback Calculated Property
Cp,gas	393.10	J/mol×K	577.28	Joback Calculated Property
Cp,gas	405.87	J/mol×K	608.59	Joback Calculated Property
Cp,gas	418.03	J/mol×K	639.91	Joback Calculated Property
Cp,gas	429.60	J/mol×K	671.22	Joback Calculated Property
Cp,gas	440.60	J/mol×K	702.54	Joback Calculated Property
Cp,gas	451.04	J/mol×K	733.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Chlorovaleric acid, 3-methylbut-2-enyl ester.

Sources

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

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