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°	14.46	kJ/mol	Joback Calculated Property
ΔvapH°	48.66	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	2799.47	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	600.65	K	Relay (1.0) Calculated Property
Tfus	205.49	K	Relay (1.0) Calculated Property
Vc	0.455	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	[263.19; 328.12]	J/mol×K	[454.97; 637.48]
Cp,gas	263.19	J/mol×K	454.97	Joback Calculated Property
Cp,gas	275.17	J/mol×K	485.39	Joback Calculated Property
Cp,gas	286.67	J/mol×K	515.81	Joback Calculated Property
Cp,gas	297.72	J/mol×K	546.22	Joback Calculated Property
Cp,gas	308.30	J/mol×K	576.64	Joback Calculated Property
Cp,gas	318.44	J/mol×K	607.06	Joback Calculated Property
Cp,gas	328.12	J/mol×K	637.48	Joback Calculated Property
η	[0.0002428; 0.0043324]	Pa×s	[235.32; 454.97]
η	0.0043324	Pa×s	235.32	Joback Calculated Property
η	0.0019397	Pa×s	271.93	Joback Calculated Property
η	0.0010509	Pa×s	308.54	Joback Calculated Property
η	0.0006484	Pa×s	345.14	Joback Calculated Property
η	0.0004389	Pa×s	381.75	Joback Calculated Property
η	0.0003181	Pa×s	418.36	Joback Calculated Property
η	0.0002428	Pa×s	454.97	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

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.