- InChI
- InChI=1S/C18H22O2/c1-2-3-4-7-13-20-18(19)14-16-11-8-10-15-9-5-6-12-17(15)16/h5-6,8-12H,2-4,7,13-14H2,1H3
- InChI Key
- AIRQXTVJFPUCNR-UHFFFAOYSA-N
- Formula
- C18H22O2
- SMILES
- CCCCCCOC(=O)Cc1cccc2ccccc12
- Molecular Weight1
- 270.37
- CAS
- 2876-73-5
- Other Names
-
- 1-naphthaleneacetic acid, hexyl ester
- 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 | 0.7539 | Relay (1.0) Calculated Property | |
| ΔfG° | 76.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.506 | Crippen Calculated Property | |
| McVol | 228.700 | ml/mol | McGowan Calculated Property |
| Pc | 1827.85 | kPa | Joback Calculated Property |
| Tboil | 646.23 | K | Relay (1.0) Calculated Property |
| Tc | 873.97 | K | Relay (1.0) Calculated Property |
| Tfus | 304.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.846 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.16; 728.02] | J/mol×K | [738.17; 950.21] | 
|
| Cp,gas | 645.16 | J/mol×K | 738.17 | Joback Calculated Property |
| Cp,gas | 661.36 | J/mol×K | 773.51 | Joback Calculated Property |
| Cp,gas | 676.53 | J/mol×K | 808.85 | Joback Calculated Property |
| Cp,gas | 690.72 | J/mol×K | 844.19 | Joback Calculated Property |
| Cp,gas | 703.99 | J/mol×K | 879.53 | Joback Calculated Property |
| Cp,gas | 716.40 | J/mol×K | 914.87 | Joback Calculated Property |
| Cp,gas | 728.02 | J/mol×K | 950.21 | Joback Calculated Property |
| η | [0.0001767; 0.0012149] | Pa×s | [436.42; 738.17] |
|
| η | 0.0012149 | Pa×s | 436.42 | Joback Calculated Property |
| η | 0.0007463 | Pa×s | 486.71 | Joback Calculated Property |
| η | 0.0005022 | Pa×s | 537.00 | Joback Calculated Property |
| η | 0.0003617 | Pa×s | 587.29 | Joback Calculated Property |
| η | 0.0002744 | Pa×s | 637.59 | Joback Calculated Property |
| η | 0.0002167 | Pa×s | 687.88 | Joback Calculated Property |
| η | 0.0001767 | Pa×s | 738.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexyl 2-(1-naphthyl)acetate.
Sources
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