Chemical Properties of 5-Chlorovaleric acid, undec-2-enyl ester

InChI

InChI=1S/C16H29ClO2/c1-2-3-4-5-6-7-8-9-12-15-19-16(18)13-10-11-14-17/h9,12H,2-8,10-11,13-15H2,1H3/b12-9+

InChI Key

MMBYQPWSFIURFR-FMIVXFBMSA-N

Formula

C16H29ClO2

SMILES

CCCCCCCCC=CCOC(=O)CCCCCl

Molecular Weight¹

288.85

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-644.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.38	kJ/mol	Joback Calculated Property
ΔvapH°	87.91	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.55		Relay (1.0) Calculated Property
logPoct/wat	5.246		Crippen Calculated Property
McVol	251.680	ml/mol	McGowan Calculated Property
Pc	1378.88	kPa	Joback Calculated Property
Inp	[2053.60; 2053.60]
Inp	2053.60		NIST
Inp	2053.60		NIST
Tboil	577.82	K	Relay (1.0) Calculated Property
Tc	770.98	K	Relay (1.0) Calculated Property
Tfus	252.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[688.59; 777.18]	J/mol×K	[683.36; 860.49]
Cp,gas	688.59	J/mol×K	683.36	Joback Calculated Property
Cp,gas	705.25	J/mol×K	712.88	Joback Calculated Property
Cp,gas	721.11	J/mol×K	742.40	Joback Calculated Property
Cp,gas	736.21	J/mol×K	771.92	Joback Calculated Property
Cp,gas	750.57	J/mol×K	801.44	Joback Calculated Property
Cp,gas	764.22	J/mol×K	830.96	Joback Calculated Property
Cp,gas	777.18	J/mol×K	860.49	Joback Calculated Property
η	[0.0000948; 0.0017965]	Pa×s	[367.08; 683.36]
η	0.0017965	Pa×s	367.08	Joback Calculated Property
η	0.0008088	Pa×s	419.79	Joback Calculated Property
η	0.0004351	Pa×s	472.51	Joback Calculated Property
η	0.0002651	Pa×s	525.22	Joback Calculated Property
η	0.0001768	Pa×s	577.93	Joback Calculated Property
η	0.0001262	Pa×s	630.65	Joback Calculated Property
η	0.0000948	Pa×s	683.36	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.