- InChI
- InChI=1S/C27H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-29-27(28)23-25-20-17-19-24-18-14-15-21-26(24)25/h14-15,17-21H,2-13,16,22-23H2,1H3
- InChI Key
- FZVAATALWMJBCF-UHFFFAOYSA-N
- Formula
- C27H40O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)Cc1cccc2c
cccc12 - Molecular Weight1
- 396.61
- 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° | 151.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -429.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.43 | kJ/mol | Joback Calculated Property |
| log10WS | -9.22 | Crippen Calculated Property | |
| logPoct/wat | 8.017 | Crippen Calculated Property | |
| McVol | 355.510 | ml/mol | McGowan Calculated Property |
| Pc | 974.73 | kPa | Joback Calculated Property |
| Inp | [1963.00; 1963.00] |
|
|
| Inp | 1963.00 | NIST | |
| Inp | 1963.00 | NIST | |
| Tboil | 944.09 | K | Joback Calculated Property |
| Tc | 1157.09 | K | Joback Calculated Property |
| Tfus | 537.85 | K | Joback Calculated Property |
| Vc | 1.385 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1178.82; 1274.57] | J/mol×K | [944.09; 1157.09] |
|
| Cp,gas | 1178.82 | J/mol×K | 944.09 | Joback Calculated Property |
| Cp,gas | 1197.33 | J/mol×K | 979.59 | Joback Calculated Property |
| Cp,gas | 1214.71 | J/mol×K | 1015.09 | Joback Calculated Property |
| Cp,gas | 1231.03 | J/mol×K | 1050.59 | Joback Calculated Property |
| Cp,gas | 1246.39 | J/mol×K | 1086.09 | Joback Calculated Property |
| Cp,gas | 1260.87 | J/mol×K | 1121.59 | Joback Calculated Property |
| Cp,gas | 1274.57 | J/mol×K | 1157.09 | Joback Calculated Property |
| η | [0.0000578; 0.0005904] | Pa×s | [537.85; 944.09] |
|
| η | 0.0005904 | Pa×s | 537.85 | Joback Calculated Property |
| η | 0.0003227 | Pa×s | 605.56 | Joback Calculated Property |
| η | 0.0001992 | Pa×s | 673.26 | Joback Calculated Property |
| η | 0.0001343 | Pa×s | 740.97 | Joback Calculated Property |
| η | 0.0000967 | Pa×s | 808.68 | Joback Calculated Property |
| η | 0.0000733 | Pa×s | 876.38 | Joback Calculated Property |
| η | 0.0000578 | Pa×s | 944.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, pentadecyl ester.
Sources
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