Chemical Properties of 4-Octen-1-ol, (Z)-, butanoate

InChI

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

InChI Key

ALDNKJSWCRXURS-SREVYHEPSA-N

Formula

C12H22O2

SMILES

CCCC=CCCCOC(=O)CCC

Molecular Weight¹

198.30

Other Names

• (Z)-4-Octen-1-yl butanoate

• ω : Acentric Factor.
• 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).
• 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	0.6057		Relay (1.0) Calculated Property
ΔfH°gas	-543.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.41	kJ/mol	Joback Calculated Property
ΔvapH°	67.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1869.17	kPa	Joback Calculated Property
Inp	[1354.00; 1358.00]
Inp	1354.00		NIST
Inp	1356.00		NIST
Inp	1357.00		NIST
Inp	1358.00		NIST
Tboil	498.85	K	Relay (1.0) Calculated Property
Tc	686.68	K	Relay (1.0) Calculated Property
Tfus	203.77	K	Relay (1.0) Calculated Property
Vc	0.688	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[439.12; 522.79]	J/mol×K	[536.54; 710.41]
Cp,gas	439.12	J/mol×K	536.54	Joback Calculated Property
Cp,gas	454.73	J/mol×K	565.52	Joback Calculated Property
Cp,gas	469.65	J/mol×K	594.50	Joback Calculated Property
Cp,gas	483.90	J/mol×K	623.48	Joback Calculated Property
Cp,gas	497.50	J/mol×K	652.45	Joback Calculated Property
Cp,gas	510.45	J/mol×K	681.43	Joback Calculated Property
Cp,gas	522.79	J/mol×K	710.41	Joback Calculated Property
η	[0.0001468; 0.0049647]	Pa×s	[262.25; 536.54]
η	0.0049647	Pa×s	262.25	Joback Calculated Property
η	0.0017859	Pa×s	307.96	Joback Calculated Property
η	0.0008368	Pa×s	353.68	Joback Calculated Property
η	0.0004664	Pa×s	399.39	Joback Calculated Property
η	0.0002931	Pa×s	445.11	Joback Calculated Property
η	0.0002008	Pa×s	490.82	Joback Calculated Property
η	0.0001468	Pa×s	536.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Octen-1-ol, (Z)-, butanoate.

Sources

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

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