- InChI
- InChI=1S/C17H20O3/c1-13(10-11-19-2)12-20-17(18)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13H,10-12H2,1-2H3
- InChI Key
- UICKNFHOMVIQLO-UHFFFAOYSA-N
- Formula
- C17H20O3
- SMILES
- COCCC(C)COC(=O)c1cccc2ccccc12
- Molecular Weight1
- 272.34
- 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).
- 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° | -39.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.19 | kJ/mol | Joback Calculated Property |
| log10WS | -4.46 | Crippen Calculated Property | |
| logPoct/wat | 3.669 | Crippen Calculated Property | |
| McVol | 220.480 | ml/mol | McGowan Calculated Property |
| Pc | 1971.80 | kPa | Joback Calculated Property |
| Inp | 2259.00 | NIST | |
| Tboil | 737.27 | K | Joback Calculated Property |
| Tc | 953.78 | K | Joback Calculated Property |
| Tfus | 432.38 | K | Joback Calculated Property |
| Vc | 0.838 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [618.42; 697.88] | J/mol×K | [737.27; 953.78] | 
|
| Cp,gas | 618.42 | J/mol×K | 737.27 | Joback Calculated Property |
| Cp,gas | 634.18 | J/mol×K | 773.35 | Joback Calculated Property |
| Cp,gas | 648.87 | J/mol×K | 809.44 | Joback Calculated Property |
| Cp,gas | 662.54 | J/mol×K | 845.52 | Joback Calculated Property |
| Cp,gas | 675.24 | J/mol×K | 881.61 | Joback Calculated Property |
| Cp,gas | 687.00 | J/mol×K | 917.69 | Joback Calculated Property |
| Cp,gas | 697.88 | J/mol×K | 953.78 | Joback Calculated Property |
| η | [0.0001417; 0.0010801] | Pa×s | [432.38; 737.27] |
|
| η | 0.0010801 | Pa×s | 432.38 | Joback Calculated Property |
| η | 0.0006443 | Pa×s | 483.19 | Joback Calculated Property |
| η | 0.0004241 | Pa×s | 534.01 | Joback Calculated Property |
| η | 0.0003002 | Pa×s | 584.83 | Joback Calculated Property |
| η | 0.0002245 | Pa×s | 635.64 | Joback Calculated Property |
| η | 0.0001753 | Pa×s | 686.45 | Joback Calculated Property |
| η | 0.0001417 | Pa×s | 737.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 4-methoxy-2-methylbutyl ester.
Sources
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