Chemical Properties of Butanoic acid, 4-chloro, (Z)-3-hexenyl ester

InChI

InChI=1S/C10H17ClO2/c1-2-3-4-5-9-13-10(12)7-6-8-11/h3-4H,2,5-9H2,1H3/b4-3-

InChI Key

JAWDGGOEFQDOMJ-ARJAWSKDSA-N

Formula

C10H17ClO2

SMILES

CCC=CCCOC(=O)CCCCl

Molecular Weight¹

204.69

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-525.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.42	kJ/mol	Joback Calculated Property
ΔvapH°	65.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-2.90		Relay (1.0) Calculated Property
logPoct/wat	2.905		Crippen Calculated Property
McVol	167.140	ml/mol	McGowan Calculated Property
Inp	[1382.00; 1407.00]
Inp	1389.00		NIST
Inp	1382.00		NIST
Inp	1402.00		NIST
Inp	1407.00		NIST
I	[1939.00; 1976.00]
I	1939.00		NIST
I	1950.00		NIST
I	1976.00		NIST
Tboil	508.39	K	Relay (1.0) Calculated Property
Tc	702.44	K	Relay (1.0) Calculated Property
Tfus	205.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[374.91; 446.63]	J/mol×K	[528.21; 710.36]
Cp,gas	374.91	J/mol×K	528.21	Joback Calculated Property
Cp,gas	388.42	J/mol×K	558.57	Joback Calculated Property
Cp,gas	401.28	J/mol×K	588.93	Joback Calculated Property
Cp,gas	413.51	J/mol×K	619.28	Joback Calculated Property
Cp,gas	425.14	J/mol×K	649.64	Joback Calculated Property
Cp,gas	436.17	J/mol×K	680.00	Joback Calculated Property
Cp,gas	446.63	J/mol×K	710.36	Joback Calculated Property
η	[0.0001717; 0.0044216]	Pa×s	[269.63; 528.21]
η	0.0044216	Pa×s	269.63	Joback Calculated Property
η	0.0017717	Pa×s	312.73	Joback Calculated Property
η	0.0008860	Pa×s	355.82	Joback Calculated Property
η	0.0005146	Pa×s	398.92	Joback Calculated Property
η	0.0003323	Pa×s	442.02	Joback Calculated Property
η	0.0002319	Pa×s	485.11	Joback Calculated Property
η	0.0001717	Pa×s	528.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 4-chloro, (Z)-3-hexenyl 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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