- 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)c1cccc
c1N - 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
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6904 | Relay (... Calculated Property | |
| ΔfG° | 189.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.97 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.29 | kJ/mol | Relay (... Calculated Property |
| IE | 7.58 | eV | Relay (... Calculated Property |
| log10WS | -4.51 | Relay (... 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 | 627.61 | K | Relay (... Calculated Property |
| Tc | 829.56 | K | Relay (... Calculated Property |
| Tfus | 292.83 | K | Relay (... Calculated Property |
| Vc | 0.810 | m3/kmol | Relay (... 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
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