- InChI
- InChI=1S/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-30-28(29)24-26-21-18-20-25-19-15-16-22-27(25)26/h15-16,18-22H,2-14,17,23-24H2,1H3
- InChI Key
- DVPGWPZAZCGSIU-UHFFFAOYSA-N
- Formula
- C28H42O2
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)Cc1cccc2
ccccc12 - Molecular Weight1
- 410.63
- 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).
- 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 |
|---|---|---|---|
| ω | 1.1462 | Relay (1.0) Calculated Property | |
| ΔfG° | 160.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -553.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.407 | Crippen Calculated Property | |
| McVol | 369.600 | ml/mol | McGowan Calculated Property |
| Pc | 918.83 | kPa | Joback Calculated Property |
| Inp | [2035.00; 2035.00] |
|
|
| Inp | 2035.00 | NIST | |
| Inp | 2035.00 | NIST | |
| Tboil | 716.39 | K | Relay (1.0) Calculated Property |
| Tc | 942.60 | K | Relay (1.0) Calculated Property |
| Tfus | 325.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.394 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1241.73; 1339.54] | J/mol×K | [966.97; 1184.01] |
|
| Cp,gas | 1241.73 | J/mol×K | 966.97 | Joback Calculated Property |
| Cp,gas | 1260.64 | J/mol×K | 1003.14 | Joback Calculated Property |
| Cp,gas | 1278.38 | J/mol×K | 1039.32 | Joback Calculated Property |
| Cp,gas | 1295.04 | J/mol×K | 1075.49 | Joback Calculated Property |
| Cp,gas | 1310.73 | J/mol×K | 1111.67 | Joback Calculated Property |
| Cp,gas | 1325.53 | J/mol×K | 1147.84 | Joback Calculated Property |
| Cp,gas | 1339.54 | J/mol×K | 1184.01 | Joback Calculated Property |
| η | [0.0000502; 0.0005323] | Pa×s | [549.12; 966.97] |
|
| η | 0.0005323 | Pa×s | 549.12 | Joback Calculated Property |
| η | 0.0002878 | Pa×s | 618.76 | Joback Calculated Property |
| η | 0.0001762 | Pa×s | 688.40 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 758.05 | Joback Calculated Property |
| η | 0.0000847 | Pa×s | 827.69 | Joback Calculated Property |
| η | 0.0000639 | Pa×s | 897.33 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 966.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, hexadecyl ester.
Sources
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