Chemical Properties of 4-Penten-2-ol, benzoate

InChI

InChI=1S/C12H14O2/c1-3-7-10(2)14-12(13)11-8-5-4-6-9-11/h3-6,8-10H,1,7H2,2H3

InChI Key

QLQPHDBTEQSJKE-UHFFFAOYSA-N

Formula

C12H14O2

SMILES

C=CCC(C)OC(=O)c1ccccc1

Molecular Weight¹

190.24

Other Names

• 1-Methyl-3-butenyl benzoate

• 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.
• I : 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	0.4987		Relay (1.0) Calculated Property
ΔfH°gas	-268.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.44	kJ/mol	Joback Calculated Property
ΔvapH°	67.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-3.01		Relay (1.0) Calculated Property
logPoct/wat	2.808		Crippen Calculated Property
McVol	159.320	ml/mol	McGowan Calculated Property
Pc	2540.49	kPa	Joback Calculated Property
Inp	[1355.00; 1380.00]
Inp	1370.00		NIST
Inp	1355.00		NIST
Inp	1380.00		NIST
Inp	1363.00		NIST
Inp	1368.00		NIST
Inp	1374.00		NIST
Inp	1366.00		NIST
Inp	1357.00		NIST
Inp	1365.00		NIST
Inp	1362.00		NIST
Inp	1361.00		NIST
Inp	1370.00		NIST
Inp	1374.00		NIST
I	[1857.00; 1911.00]
I	1857.00		NIST
I	1892.00		NIST
I	1883.00		NIST
I	1896.00		NIST
I	1911.00		NIST
I	1857.00		NIST
I	1896.00		NIST
I	1874.00		NIST
I	1876.00		NIST
I	1878.00		NIST
I	1892.00		NIST
Tboil	519.86	K	Relay (1.0) Calculated Property
Tc	721.46	K	Relay (1.0) Calculated Property
Tfus	237.58	K	Relay (1.0) Calculated Property
Vc	0.566	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	[369.46; 447.58]	J/mol×K	[555.30; 767.54]
Cp,gas	369.46	J/mol×K	555.30	Joback Calculated Property
Cp,gas	384.78	J/mol×K	590.67	Joback Calculated Property
Cp,gas	399.14	J/mol×K	626.05	Joback Calculated Property
Cp,gas	412.57	J/mol×K	661.42	Joback Calculated Property
Cp,gas	425.10	J/mol×K	696.80	Joback Calculated Property
Cp,gas	436.76	J/mol×K	732.17	Joback Calculated Property
Cp,gas	447.58	J/mol×K	767.54	Joback Calculated Property
η	[0.0001628; 0.0045133]	Pa×s	[276.99; 555.30]
η	0.0045133	Pa×s	276.99	Joback Calculated Property
η	0.0017440	Pa×s	323.38	Joback Calculated Property
η	0.0008554	Pa×s	369.76	Joback Calculated Property
η	0.0004918	Pa×s	416.14	Joback Calculated Property
η	0.0003160	Pa×s	462.53	Joback Calculated Property
η	0.0002200	Pa×s	508.91	Joback Calculated Property
η	0.0001628	Pa×s	555.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Penten-2-ol, benzoate.

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.
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