- InChI
- InChI=1S/C16H16O2/c1-12(2)10-11-18-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-10H,11H2,1-2H3
- InChI Key
- URDRCSFCLIJWMH-UHFFFAOYSA-N
- Formula
- C16H16O2
- SMILES
- CC(C)=CCOC(=O)c1cccc2ccccc12
- Molecular Weight1
- 240.30
- 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° | 131.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.98 | kJ/mol | Joback Calculated Property |
| log10WS | -5.05 | Crippen Calculated Property | |
| logPoct/wat | 3.963 | Crippen Calculated Property | |
| McVol | 196.220 | ml/mol | McGowan Calculated Property |
| Pc | 2289.32 | kPa | Joback Calculated Property |
| Inp | [1991.00; 1991.00] |
|
|
| Inp | 1991.00 | NIST | |
| Inp | 1991.00 | NIST | |
| Tboil | 696.45 | K | Joback Calculated Property |
| Tc | 926.84 | K | Joback Calculated Property |
| Tfus | 394.84 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.71; 590.46] | J/mol×K | [696.45; 926.84] |
|
| Cp,gas | 513.71 | J/mol×K | 696.45 | Joback Calculated Property |
| Cp,gas | 528.88 | J/mol×K | 734.85 | Joback Calculated Property |
| Cp,gas | 542.99 | J/mol×K | 773.25 | Joback Calculated Property |
| Cp,gas | 556.12 | J/mol×K | 811.65 | Joback Calculated Property |
| Cp,gas | 568.35 | J/mol×K | 850.04 | Joback Calculated Property |
| Cp,gas | 579.77 | J/mol×K | 888.44 | Joback Calculated Property |
| Cp,gas | 590.46 | J/mol×K | 926.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 3-methylbut-2-enyl ester.
Sources
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