Chemical Properties of cis-3-hexenyl tiglate

InChI

InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6+,10-5-

InChI Key

JNWQKXUWZWKUAY-JQEGGOPCSA-N

Formula

C11H18O2

SMILES

C/C=C(\C)C(=O)OCC/C=C\CC

Molecular Weight¹

182.26

Other Names

• (Z)-3-hexenyl 2-methylcrotonate
• (Z)-Hex-3-enyl (E)-2-methylbut-2-enoate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ΔfusH°	26.13	kJ/mol	Joback Calculated Property
ΔvapH°	62.80	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.852		Crippen Calculated Property
McVol	164.690	ml/mol	McGowan Calculated Property
Inp	[1274.00; 1325.00]
Inp	1325.00		NIST
Inp	1274.00		NIST
Inp	1325.00		NIST
Tboil	487.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[379.03; 455.65]	J/mol×K	[535.57; 724.37]
Cp,gas	379.03	J/mol×K	535.57	Joback Calculated Property
Cp,gas	393.47	J/mol×K	567.04	Joback Calculated Property
Cp,gas	407.20	J/mol×K	598.50	Joback Calculated Property
Cp,gas	420.25	J/mol×K	629.97	Joback Calculated Property
Cp,gas	432.66	J/mol×K	661.44	Joback Calculated Property
Cp,gas	444.45	J/mol×K	692.91	Joback Calculated Property
Cp,gas	455.65	J/mol×K	724.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-3-hexenyl tiglate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.