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

• 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).
• 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
ΔfG°	14.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.13	kJ/mol	Joback Calculated Property
ΔfusH°	18.86	kJ/mol	Joback Calculated Property
ΔvapH°	52.68	kJ/mol	Joback Calculated Property
log10WS	-3.35		Crippen Calculated Property
logPoct/wat	2.808		Crippen Calculated Property
McVol	159.320	ml/mol	McGowan Calculated Property
Pc	2648.83	kPa	Joback Calculated Property
Inp	[1355.00; 1380.00]
Inp	1370.00		NIST
Inp	1355.00		NIST
Inp	Outlier 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	1361.00		NIST
Inp	1370.00		NIST
Inp	1374.00		NIST
Inp	1366.00		NIST
I	[1857.00; 1911.00]
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	1857.00		NIST
I	1892.00		NIST
Tboil	573.17	K	Joback Calculated Property
Tc	787.84	K	Joback Calculated Property
Tfus	306.82	K	Joback Calculated Property
Vc	0.599	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.17; 450.68]	J/mol×K	[573.17; 787.84]
Cp,gas	374.17	J/mol×K	573.17	Joback Calculated Property
Cp,gas	389.10	J/mol×K	608.95	Joback Calculated Property
Cp,gas	403.11	J/mol×K	644.73	Joback Calculated Property
Cp,gas	416.25	J/mol×K	680.50	Joback Calculated Property
Cp,gas	428.53	J/mol×K	716.28	Joback Calculated Property
Cp,gas	440.00	J/mol×K	752.06	Joback Calculated Property
Cp,gas	450.68	J/mol×K	787.84	Joback Calculated Property
η	[0.0001780; 0.0027806]	Pa×s	[306.82; 573.17]
η	0.0027806	Pa×s	306.82	Joback Calculated Property
η	0.0013166	Pa×s	351.21	Joback Calculated Property
η	0.0007373	Pa×s	395.60	Joback Calculated Property
η	0.0004642	Pa×s	440.00	Joback Calculated Property
η	0.0003181	Pa×s	484.39	Joback Calculated Property
η	0.0002322	Pa×s	528.78	Joback Calculated Property
η	0.0001780	Pa×s	573.17	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.