Chemical Properties of 4-Penten-1-ol, 3-methyl-, acetate (CAS 71487-16-6)

InChI

InChI=1S/C8H14O2/c1-4-7(2)5-6-10-8(3)9/h4,7H,1,5-6H2,2-3H3

InChI Key

KZUOLSGYSYIQHE-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

C=CC(C)CCOC(C)=O

Molecular Weight¹

142.20

CAS

71487-16-6

Other Names

• 3-Methyl-4-penten-1-ol acetate

• 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	0.4214		Relay (1.0) Calculated Property
ΔfH°gas	-430.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.04	kJ/mol	Joback Calculated Property
ΔvapH°	50.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-1.83		Relay (1.0) Calculated Property
logPoct/wat	1.762		Crippen Calculated Property
McVol	126.720	ml/mol	McGowan Calculated Property
Pc	2681.86	kPa	Joback Calculated Property
Inp	[1005.00; 1006.00]
Inp	1005.00		NIST
Inp	1006.00		NIST
Inp	1005.00		NIST
Tboil	432.92	K	Relay (1.0) Calculated Property
Tc	605.54	K	Relay (1.0) Calculated Property
Tfus	204.10	K	Relay (1.0) Calculated Property
Vc	0.459	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	[258.25; 324.62]	J/mol×K	[437.10; 616.19]
Cp,gas	258.25	J/mol×K	437.10	Joback Calculated Property
Cp,gas	270.55	J/mol×K	466.95	Joback Calculated Property
Cp,gas	282.34	J/mol×K	496.80	Joback Calculated Property
Cp,gas	293.63	J/mol×K	526.65	Joback Calculated Property
Cp,gas	304.44	J/mol×K	556.50	Joback Calculated Property
Cp,gas	314.77	J/mol×K	586.35	Joback Calculated Property
Cp,gas	324.62	J/mol×K	616.19	Joback Calculated Property
η	[0.0002298; 0.0090882]	Pa×s	[205.49; 437.10]
η	0.0090882	Pa×s	205.49	Joback Calculated Property
η	0.0030327	Pa×s	244.09	Joback Calculated Property
η	0.0013657	Pa×s	282.69	Joback Calculated Property
η	0.0007450	Pa×s	321.29	Joback Calculated Property
η	0.0004628	Pa×s	359.90	Joback Calculated Property
η	0.0003153	Pa×s	398.50	Joback Calculated Property
η	0.0002298	Pa×s	437.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Penten-1-ol, 3-methyl-, acetate.

Sources

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

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