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_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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-230.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.40	kJ/mol	Joback Calculated Property
ΔvapH°	72.29	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	158.540	ml/mol	McGowan Calculated Property
Inp	[1505.30; 1505.30]
Inp	1505.30		NIST
Inp	1505.30		NIST
Tboil	511.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.12; 402.93]	J/mol×K	[518.33; 712.52]
Cp,gas	339.12	J/mol×K	518.33	Joback Calculated Property
Cp,gas	351.34	J/mol×K	550.69	Joback Calculated Property
Cp,gas	362.89	J/mol×K	583.06	Joback Calculated Property
Cp,gas	373.80	J/mol×K	615.42	Joback Calculated Property
Cp,gas	384.09	J/mol×K	647.79	Joback Calculated Property
Cp,gas	393.79	J/mol×K	680.15	Joback Calculated Property
Cp,gas	402.93	J/mol×K	712.52	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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