Chemical Properties of 1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate (CAS 7149-26-0)

InChI

InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3

InChI Key

WHIJSULEEDNKPD-UHFFFAOYSA-N

Formula

C17H23NO2

SMILES

C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1N

Molecular Weight¹

273.37

CAS

7149-26-0

Other Names

• Anthranilic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
• Linalyl anthranilate
• Anthranilic acid, linalyl ester
• 3,7-Dimethyl-1,6-octadien-3-yl, anthranilate
• 3,7-Dimethyl-1,6-octadien-3-yl o-aminobenzoate
• 1,5-Dimethyl-1-vinyl-4-hexen-1-yl o-aminobenzoate
• 4-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, o-aminobenzoate
• Linalyl o-aminobenzoate
• 1,6-Octadien-3-ol, 3,7-dimethyl-, o-aminobenzoate
• 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-(2-aminobenzoate)
• NSC 72026

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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°	189.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-156.05	kJ/mol	Joback Calculated Property
ΔfusH°	31.62	kJ/mol	Joback Calculated Property
ΔvapH°	74.24	kJ/mol	Joback Calculated Property
log10WS	-4.93		Crippen Calculated Property
logPoct/wat	4.117		Crippen Calculated Property
McVol	235.450	ml/mol	McGowan Calculated Property
Pc	1869.17	kPa	Joback Calculated Property
Inp	[2057.00; 2157.00]
Inp	2057.00		NIST
Inp	2157.00		NIST
Inp	2057.00		NIST
Inp	2157.00		NIST
Tboil	766.33	K	Joback Calculated Property
Tc	989.83	K	Joback Calculated Property
Tfus	457.33	K	Joback Calculated Property
Vc	0.883	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[676.76; 757.43]	J/mol×K	[766.33; 989.83]
Cp,gas	676.76	J/mol×K	766.33	Joback Calculated Property
Cp,gas	692.63	J/mol×K	803.58	Joback Calculated Property
Cp,gas	707.42	J/mol×K	840.83	Joback Calculated Property
Cp,gas	721.21	J/mol×K	878.08	Joback Calculated Property
Cp,gas	734.08	J/mol×K	915.33	Joback Calculated Property
Cp,gas	746.13	J/mol×K	952.58	Joback Calculated Property
Cp,gas	757.43	J/mol×K	989.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate.

Sources

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

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