- InChI
- InChI=1S/C23H32O2/c1-2-3-4-5-6-7-8-9-12-18-25-23(24)19-21-16-13-15-20-14-10-11-17-22(20)21/h10-11,13-17H,2-9,12,18-19H2,1H3
- InChI Key
- BTBUEVCCILMYJY-UHFFFAOYSA-N
- Formula
- C23H32O2
- SMILES
-
CCCCCCCCCCCOC(=O)Cc1cccc2ccccc
12 - Molecular Weight1
- 340.50
- 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 | 0.9599 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.456 | Crippen Calculated Property | |
| McVol | 299.150 | ml/mol | McGowan Calculated Property |
| Pc | 1258.37 | kPa | Joback Calculated Property |
| Inp | [1662.00; 1662.00] |
|
|
| Inp | 1662.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Tboil | 683.31 | K | Relay (1.0) Calculated Property |
| Tc | 910.92 | K | Relay (1.0) Calculated Property |
| Tfus | 314.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.122 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [933.53; 1023.17] | J/mol×K | [852.57; 1058.18] |
|
| Cp,gas | 933.53 | J/mol×K | 852.57 | Joback Calculated Property |
| Cp,gas | 950.91 | J/mol×K | 886.84 | Joback Calculated Property |
| Cp,gas | 967.21 | J/mol×K | 921.11 | Joback Calculated Property |
| Cp,gas | 982.53 | J/mol×K | 955.37 | Joback Calculated Property |
| Cp,gas | 996.91 | J/mol×K | 989.64 | Joback Calculated Property |
| Cp,gas | 1010.44 | J/mol×K | 1023.91 | Joback Calculated Property |
| Cp,gas | 1023.17 | J/mol×K | 1058.18 | Joback Calculated Property |
| η | [0.0000983; 0.0008576] | Pa×s | [492.77; 852.57] |
|
| η | 0.0008576 | Pa×s | 492.77 | Joback Calculated Property |
| η | 0.0004915 | Pa×s | 552.74 | Joback Calculated Property |
| η | 0.0003141 | Pa×s | 612.70 | Joback Calculated Property |
| η | 0.0002174 | Pa×s | 672.67 | Joback Calculated Property |
| η | 0.0001598 | Pa×s | 732.64 | Joback Calculated Property |
| η | 0.0001231 | Pa×s | 792.60 | Joback Calculated Property |
| η | 0.0000983 | Pa×s | 852.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, undecyl ester.
Sources
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