Chemical Properties of Cis-3-hexenyl anthranilate

InChI

InChI=1S/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3/b4-3+

InChI Key

VZWCCPAVZNSCEO-ARJAWSKDSA-N

Formula

C13H17NO2

SMILES

CC/C=C\CCOC(=O)c1ccccc1N

Molecular Weight¹

219.28

Other Names

• 3-Hexen-1-ol, 2-aminobenzoate, (Z)-
• 3-Hexen-ol, 2-aminobenzoate, (Z)-
• 3-Hexen-1-yl 2-aminobenzoate
• cis-Hex-3-enyl anthranilate
• (3Z)-3-Hexenyl 2-aminobenzoate
• (Z)-3-Hexenyl anthranilate
• (Z)-Hex-3-enyl anthranilate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• T_boil : Normal Boiling Point 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	-311.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.26	kJ/mol	Joback Calculated Property
ΔvapH°	80.95	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	2.782		Crippen Calculated Property
McVol	183.390	ml/mol	McGowan Calculated Property
Pc	2512.55	kPa	Joback Calculated Property
Inp	[1807.00; 1807.00]
Inp	1807.00		NIST
Inp	1807.00		NIST
Tboil	595.81	K	Relay (1.0) Calculated Property
Tfus	238.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[484.52; 557.42]	J/mol×K	[681.48; 900.73]
Cp,gas	484.52	J/mol×K	681.48	Joback Calculated Property
Cp,gas	498.85	J/mol×K	718.02	Joback Calculated Property
Cp,gas	512.25	J/mol×K	754.56	Joback Calculated Property
Cp,gas	524.77	J/mol×K	791.11	Joback Calculated Property
Cp,gas	536.44	J/mol×K	827.65	Joback Calculated Property
Cp,gas	547.31	J/mol×K	864.19	Joback Calculated Property
Cp,gas	557.42	J/mol×K	900.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cis-3-hexenyl anthranilate.

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.