Chemical Properties of 4-Hepten-2-ol, (Z)-, 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-SREVYHEPSA-N

Formula

C12H22O2

SMILES

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

Molecular Weight¹

198.30

Other Names

• (Z)-4-Hepten-2-yl 3-methylbutanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5162		Relay (1.0) Calculated Property
ΔfG°	-108.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-571.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.78	kJ/mol	Joback Calculated Property
ΔvapH°	59.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-3.25		Relay (1.0) Calculated Property
logPoct/wat	3.320		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1964.82	kPa	Joback Calculated Property
Inp	[1246.00; 1248.00]
Inp	1246.00		NIST
Inp	1248.00		NIST
Inp	1247.00		NIST
Inp	1248.00		NIST
Tboil	438.52	K	Relay (1.0) Calculated Property
Tc	650.39	K	Relay (1.0) Calculated Property
Tfus	197.11	K	Relay (1.0) Calculated Property
Vc	0.663	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[446.33; 531.97]	J/mol×K	[553.53; 736.79]
Cp,gas	446.33	J/mol×K	553.53	Joback Calculated Property
Cp,gas	462.35	J/mol×K	584.07	Joback Calculated Property
Cp,gas	477.65	J/mol×K	614.62	Joback Calculated Property
Cp,gas	492.24	J/mol×K	645.16	Joback Calculated Property
Cp,gas	506.15	J/mol×K	675.70	Joback Calculated Property
Cp,gas	519.39	J/mol×K	706.25	Joback Calculated Property
Cp,gas	531.97	J/mol×K	736.79	Joback Calculated Property
η	[0.0001405; 0.0059039]	Pa×s	[262.08; 553.53]
η	0.0059039	Pa×s	262.08	Joback Calculated Property
η	0.0019456	Pa×s	310.66	Joback Calculated Property
η	0.0008657	Pa×s	359.23	Joback Calculated Property
η	0.0004671	Pa×s	407.81	Joback Calculated Property
η	0.0002874	Pa×s	456.38	Joback Calculated Property
η	0.0001942	Pa×s	504.95	Joback Calculated Property
η	0.0001405	Pa×s	553.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hepten-2-ol, (Z)-, 3-methylbutanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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