- InChI
- InChI=1S/C17H20O2/c1-3-7-13(2)12-19-17(18)16-11-6-9-14-8-4-5-10-15(14)16/h4-6,8-11,13H,3,7,12H2,1-2H3
- InChI Key
- IQBIVYNIHNPLJH-UHFFFAOYSA-N
- Formula
- C17H20O2
- SMILES
- CCCC(C)COC(=O)c1cccc2ccccc12
- Molecular Weight1
- 256.34
- 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° | 65.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.78 | kJ/mol | Joback Calculated Property |
| log10WS | -5.37 | Crippen Calculated Property | |
| logPoct/wat | 4.433 | Crippen Calculated Property | |
| McVol | 214.610 | ml/mol | McGowan Calculated Property |
| Pc | 2001.91 | kPa | Joback Calculated Property |
| Inp | [2129.00; 2129.00] |
|
|
| Inp | 2129.00 | NIST | |
| Inp | 2129.00 | NIST | |
| Tboil | 714.85 | K | Joback Calculated Property |
| Tc | 933.61 | K | Joback Calculated Property |
| Tfus | 410.15 | K | Joback Calculated Property |
| Vc | 0.820 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.06; 673.26] | J/mol×K | [714.85; 933.61] |
|
| Cp,gas | 591.06 | J/mol×K | 714.85 | Joback Calculated Property |
| Cp,gas | 607.25 | J/mol×K | 751.31 | Joback Calculated Property |
| Cp,gas | 622.36 | J/mol×K | 787.77 | Joback Calculated Property |
| Cp,gas | 636.46 | J/mol×K | 824.23 | Joback Calculated Property |
| Cp,gas | 649.60 | J/mol×K | 860.69 | Joback Calculated Property |
| Cp,gas | 661.85 | J/mol×K | 897.15 | Joback Calculated Property |
| Cp,gas | 673.26 | J/mol×K | 933.61 | Joback Calculated Property |
| η | [0.0001810; 0.0014493] | Pa×s | [410.15; 714.85] |
|
| η | 0.0014493 | Pa×s | 410.15 | Joback Calculated Property |
| η | 0.0008465 | Pa×s | 460.93 | Joback Calculated Property |
| η | 0.0005501 | Pa×s | 511.72 | Joback Calculated Property |
| η | 0.0003864 | Pa×s | 562.50 | Joback Calculated Property |
| η | 0.0002878 | Pa×s | 613.28 | Joback Calculated Property |
| η | 0.0002242 | Pa×s | 664.07 | Joback Calculated Property |
| η | 0.0001810 | Pa×s | 714.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 2-methylpentyl ester.
Sources
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