Chemical Properties of (Z)-3-hexenyl-2-methylbutanoate

InChI

InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-

InChI Key

JKKGTSUICJWEKB-SREVYHEPSA-N

Formula

C11H20O2

SMILES

CCC=CCCOC(=O)C(C)CC

Molecular Weight¹

184.28

Other Names

• cis-3-Hexenyl 2-methylbutanoate

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-527.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.29	kJ/mol	Joback Calculated Property
ΔvapH°	59.36	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.932		Crippen Calculated Property
McVol	168.990	ml/mol	McGowan Calculated Property
Inp	[1191.00; 1247.00]
Inp	1229.00		NIST
Inp	1215.00		NIST
Inp	1218.00		NIST
Inp	1217.00		NIST
Inp	1231.00		NIST
Inp	1240.00		NIST
Inp	1217.00		NIST
Inp	1231.00		NIST
Inp	1247.00		NIST
Inp	Outlier 1191.00		NIST
Inp	1231.00		NIST
Inp	1215.00		NIST
Inp	1218.00		NIST
Inp	1217.00		NIST
Inp	1231.00		NIST
Inp	1229.00		NIST
Inp	1218.00		NIST
I	[1462.00; 1472.00]
I	1462.00		NIST
I	1472.00		NIST
I	1472.00		NIST
Tboil	460.93	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	[391.36; 473.05]	J/mol×K	[513.22; 692.08]
Cp,gas	391.36	J/mol×K	513.22	Joback Calculated Property
Cp,gas	406.64	J/mol×K	543.03	Joback Calculated Property
Cp,gas	421.23	J/mol×K	572.84	Joback Calculated Property
Cp,gas	435.15	J/mol×K	602.65	Joback Calculated Property
Cp,gas	448.42	J/mol×K	632.46	Joback Calculated Property
Cp,gas	461.04	J/mol×K	662.27	Joback Calculated Property
Cp,gas	473.05	J/mol×K	692.08	Joback Calculated Property
η	[0.0001520; 0.0083479]	Pa×s	[235.98; 513.22]
η	0.0083479	Pa×s	235.98	Joback Calculated Property
η	0.0024786	Pa×s	282.19	Joback Calculated Property
η	0.0010357	Pa×s	328.39	Joback Calculated Property
η	0.0005368	Pa×s	374.60	Joback Calculated Property
η	0.0003214	Pa×s	420.81	Joback Calculated Property
η	0.0002130	Pa×s	467.01	Joback Calculated Property
η	0.0001520	Pa×s	513.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3-hexenyl-2-methylbutanoate.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.