- 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
- CCC=CCCOC(=O)c1ccccc1N
- Molecular Weight1
- 219.28
- CAS
- 65405-76-7
- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 74.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen 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 | 681.48 | K | Joback Calculated Property |
| Tc | 900.73 | K | Joback Calculated Property |
| Tfus | 425.55 | K | Joback Calculated Property |
| Vc | 0.689 | m3/kmol | Joback Calculated Property |
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
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