Chemical Properties of 5-Chlorovaleric acid, pent-2-en-4-ynyl ester

InChI

InChI=1S/C10H13ClO2/c1-2-3-6-9-13-10(12)7-4-5-8-11/h1,3,6H,4-5,7-9H2/b6-3+

InChI Key

ZDYVJHVEGPSABA-ZZXKWVIFSA-N

Formula

C10H13ClO2

SMILES

C#CC=CCOC(=O)CCCCCl

Molecular Weight¹

200.66

• 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°	90.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-101.15	kJ/mol	Joback Calculated Property
ΔfusH°	31.82	kJ/mol	Joback Calculated Property
ΔvapH°	51.21	kJ/mol	Joback Calculated Property
log10WS	-2.67		Crippen Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	158.540	ml/mol	McGowan Calculated Property
Pc	2579.34	kPa	Joback Calculated Property
Inp	[1505.30; 1505.30]
Inp	1505.30		NIST
Inp	1505.30		NIST
Tboil	536.20	K	Joback Calculated Property
Tc	733.09	K	Joback Calculated Property
Tfus	346.43	K	Joback Calculated Property
Vc	0.611	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.94; 405.43]	J/mol×K	[536.20; 733.09]
Cp,gas	342.94	J/mol×K	536.20	Joback Calculated Property
Cp,gas	354.82	J/mol×K	569.01	Joback Calculated Property
Cp,gas	366.08	J/mol×K	601.83	Joback Calculated Property
Cp,gas	376.75	J/mol×K	634.64	Joback Calculated Property
Cp,gas	386.84	J/mol×K	667.46	Joback Calculated Property
Cp,gas	396.40	J/mol×K	700.27	Joback Calculated Property
Cp,gas	405.43	J/mol×K	733.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Chlorovaleric acid, pent-2-en-4-ynyl ester.

Sources

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

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