- InChI
- InChI=1S/C13H12O2/c1-2-15-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
- InChI Key
- XCTLDQQOHIEUCJ-UHFFFAOYSA-N
- Formula
- C13H12O2
- SMILES
- CCOC(=O)c1cccc2ccccc12
- Molecular Weight1
- 200.23
- CAS
- 3007-97-4
- Other Names
-
- 1-Naphthoic acid, ethyl ester
- Ethyl 1-naphthoate
- Ethyl «alpha»-naphthoate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.5614 | Relay (1.0) Calculated Property | |
| ΔfG° | -42.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.017 | Crippen Calculated Property | |
| McVol | 158.250 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Tboil | 589.22 | K | Relay (1.0) Calculated Property |
| Tc | 828.82 | K | Relay (1.0) Calculated Property |
| Tfus | 286.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.93; 452.29] | J/mol×K | [605.90; 834.41] | 
|
| Cp,gas | 380.93 | J/mol×K | 605.90 | Joback Calculated Property |
| Cp,gas | 395.28 | J/mol×K | 643.98 | Joback Calculated Property |
| Cp,gas | 408.58 | J/mol×K | 682.07 | Joback Calculated Property |
| Cp,gas | 420.87 | J/mol×K | 720.15 | Joback Calculated Property |
| Cp,gas | 432.22 | J/mol×K | 758.24 | Joback Calculated Property |
| Cp,gas | 442.67 | J/mol×K | 796.32 | Joback Calculated Property |
| Cp,gas | 452.29 | J/mol×K | 834.41 | Joback Calculated Property |
| η | [0.0002462; 0.0017105] | Pa×s | [350.24; 605.90] |
|
| η | 0.0017105 | Pa×s | 350.24 | Joback Calculated Property |
| η | 0.0010393 | Pa×s | 392.85 | Joback Calculated Property |
| η | 0.0006962 | Pa×s | 435.46 | Joback Calculated Property |
| η | 0.0005008 | Pa×s | 478.07 | Joback Calculated Property |
| η | 0.0003803 | Pa×s | 520.68 | Joback Calculated Property |
| η | 0.0003010 | Pa×s | 563.29 | Joback Calculated Property |
| η | 0.0002462 | Pa×s | 605.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthalenecarboxylic acid, ethyl ester.
Sources
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