Chemical Properties of 3-Hexen-1-ol benzoate

InChI

InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3-

InChI Key

BCOXBEHFBZOJJZ-ARJAWSKDSA-N

Formula

C13H16O2

SMILES

CCC=CCCOC(=O)c1ccccc1

Molecular Weight¹

204.26

Other Names

• (E)-3-Hexenyl 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°	17.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-202.70	kJ/mol	Joback Calculated Property
ΔfusH°	26.46	kJ/mol	Joback Calculated Property
ΔvapH°	55.92	kJ/mol	Joback Calculated Property
log10WS	-3.66		Crippen Calculated Property
logPoct/wat	3.200		Crippen Calculated Property
McVol	173.410	ml/mol	McGowan Calculated Property
Pc	2410.00	kPa	Joback Calculated Property
Inp	[1535.00; 1585.00]
Inp	1540.00		NIST
Inp	1536.00		NIST
Inp	1553.00		NIST
Inp	1536.00		NIST
Inp	1544.00		NIST
Inp	1549.00		NIST
Inp	1546.00		NIST
Inp	1535.00		NIST
Inp	1545.00		NIST
Inp	1540.00		NIST
Inp	Outlier 1585.00		NIST
Inp	1553.00		NIST
Inp	1541.00		NIST
Inp	1540.00		NIST
Inp	1549.00		NIST
I	[2046.00; 2120.00]
I	2089.00		NIST
I	2083.00		NIST
I	2100.00		NIST
I	2115.00		NIST
I	2046.00		NIST
I	2051.00		NIST
I	2069.00		NIST
I	2120.00		NIST
I	2088.00		NIST
I	2095.00		NIST
I	2101.00		NIST
I	2069.00		NIST
Tboil	603.97	K	Joback Calculated Property
Tc	815.36	K	Joback Calculated Property
Tfus	329.77	K	Joback Calculated Property
Vc	0.659	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[423.08; 501.68]	J/mol×K	[603.97; 815.36]
Cp,gas	423.08	J/mol×K	603.97	Joback Calculated Property
Cp,gas	438.38	J/mol×K	639.20	Joback Calculated Property
Cp,gas	452.75	J/mol×K	674.43	Joback Calculated Property
Cp,gas	466.22	J/mol×K	709.66	Joback Calculated Property
Cp,gas	478.84	J/mol×K	744.90	Joback Calculated Property
Cp,gas	490.65	J/mol×K	780.13	Joback Calculated Property
Cp,gas	501.68	J/mol×K	815.36	Joback Calculated Property
η	[0.0001434; 0.0019948]	Pa×s	[329.77; 603.97]
η	0.0019948	Pa×s	329.77	Joback Calculated Property
η	0.0009848	Pa×s	375.47	Joback Calculated Property
η	0.0005667	Pa×s	421.17	Joback Calculated Property
η	0.0003633	Pa×s	466.87	Joback Calculated Property
η	0.0002522	Pa×s	512.57	Joback Calculated Property
η	0.0001858	Pa×s	558.27	Joback Calculated Property
η	0.0001434	Pa×s	603.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexen-1-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.