Chemical Properties of (E)-4-Hepten-2-yl 3-methylbutanoate

InChI

InChI=1S/C12H22O2/c1-5-6-7-8-11(4)14-12(13)9-10(2)3/h6-7,10-11H,5,8-9H2,1-4H3/b7-6+

InChI Key

VFIBGALLMLBUTC-VOTSOKGWSA-N

Formula

C12H22O2

SMILES

CCC=CCC(C)OC(=O)CC(C)C

Molecular Weight¹

198.30

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-571.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.36	kJ/mol	Joback Calculated Property
ΔvapH°	61.25	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.320		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Inp	[1238.00; 1241.00]
Inp	1238.00		NIST
Inp	1241.00		NIST
Tboil	438.52	K	Relay (1.0) Calculated Property
Tc	655.28	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[439.62; 526.70]	J/mol×K	[535.66; 716.32]
Cp,gas	439.62	J/mol×K	535.66	Joback Calculated Property
Cp,gas	455.97	J/mol×K	565.77	Joback Calculated Property
Cp,gas	471.55	J/mol×K	595.88	Joback Calculated Property
Cp,gas	486.40	J/mol×K	625.99	Joback Calculated Property
Cp,gas	500.53	J/mol×K	656.10	Joback Calculated Property
Cp,gas	513.95	J/mol×K	686.21	Joback Calculated Property
Cp,gas	526.70	J/mol×K	716.32	Joback Calculated Property
η	[0.0001300; 0.0128037]	Pa×s	[232.25; 535.66]
η	0.0128037	Pa×s	232.25	Joback Calculated Property
η	0.0030068	Pa×s	282.82	Joback Calculated Property
η	0.0010959	Pa×s	333.39	Joback Calculated Property
η	0.0005210	Pa×s	383.96	Joback Calculated Property
η	0.0002945	Pa×s	434.52	Joback Calculated Property
η	0.0001875	Pa×s	485.09	Joback Calculated Property
η	0.0001300	Pa×s	535.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-4-Hepten-2-yl 3-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.
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