Chemical Properties of cis-3-Hexenyl salicylate (CAS 65405-77-8)

InChI

InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3-

InChI Key

IEPWIPZLLIOZLU-ARJAWSKDSA-N

Formula

C13H16O3

SMILES

CCC=CCCOC(=O)c1ccccc1O

Molecular Weight¹

220.26

CAS

65405-77-8

Other Names

• Benzoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)-
• Salicylic acid, 3-hexen-1-yl ester
• «beta»,«gamma»-cis-Hexenyl salicylate
• Salicylic acid, 3-hexenyl ester, (Z)-
• (3Z)-3-Hexenyl salicylate
• (Z)-3-Hexenyl salicylate

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-497.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.82	kJ/mol	Joback Calculated Property
ΔvapH°	78.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	2.905		Crippen Calculated Property
McVol	179.280	ml/mol	McGowan Calculated Property
Pc	2687.42	kPa	Joback Calculated Property
Inp	[1629.10; 1670.00]
Inp	1670.00		NIST
Inp	1640.80		NIST
Inp	1670.00		NIST
Inp	1637.70		NIST
Inp	1636.10		NIST
Inp	1651.80		NIST
Inp	1664.00		NIST
Inp	1640.80		NIST
Inp	1649.40		NIST
Inp	1654.55		NIST
Inp	1643.70		NIST
Inp	1629.10		NIST
Inp	1644.30		NIST
Inp	1643.70		NIST
Inp	1647.80		NIST
Inp	1654.00		NIST
Inp	1654.00		NIST
Inp	1643.70		NIST
I	[2274.00; 2285.00]
I	2274.00		NIST
I	2285.00		NIST
I	2274.00		NIST
Tboil	566.94	K	Relay (1.0) Calculated Property
Tc	792.72	K	Relay (1.0) Calculated Property
Tfus	254.39	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[472.54; 542.76]	J/mol×K	[666.72; 885.30]
Cp,gas	472.54	J/mol×K	666.72	Joback Calculated Property
Cp,gas	486.24	J/mol×K	703.15	Joback Calculated Property
Cp,gas	499.03	J/mol×K	739.58	Joback Calculated Property
Cp,gas	510.99	J/mol×K	776.01	Joback Calculated Property
Cp,gas	522.21	J/mol×K	812.44	Joback Calculated Property
Cp,gas	532.77	J/mol×K	848.87	Joback Calculated Property
Cp,gas	542.76	J/mol×K	885.30	Joback Calculated Property
η	[0.0000137; 0.0008508]	Pa×s	[411.66; 666.72]
η	0.0008508	Pa×s	411.66	Joback Calculated Property
η	0.0003096	Pa×s	454.17	Joback Calculated Property
η	0.0001339	Pa×s	496.68	Joback Calculated Property
η	0.0000661	Pa×s	539.19	Joback Calculated Property
η	0.0000362	Pa×s	581.70	Joback Calculated Property
η	0.0000215	Pa×s	624.21	Joback Calculated Property
η	0.0000137	Pa×s	666.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-3-Hexenyl salicylate.

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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