- InChI
- InChI=1S/C18H22O2/c1-4-17(13(2)3)20-18(19)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13,17H,4,12H2,1-3H3
- InChI Key
- MCKBYDBUXYJHRK-UHFFFAOYSA-N
- Formula
- C18H22O2
- SMILES
-
CCC(OC(=O)Cc1cccc2ccccc12)C(C)
C - Molecular Weight1
- 270.37
- 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° | 71.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 4.360 | Crippen Calculated Property | |
| McVol | 228.700 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | [2517.00; 2517.00] |
|
|
| Inp | 2517.00 | NIST | |
| Inp | 2517.00 | NIST | |
| Tboil | 737.29 | K | Joback Calculated Property |
| Tc | 956.53 | K | Joback Calculated Property |
| Tfus | 406.42 | K | Joback Calculated Property |
| Vc | 0.870 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [646.23; 731.25] | J/mol×K | [737.29; 956.53] |
|
| Cp,gas | 646.23 | J/mol×K | 737.29 | Joback Calculated Property |
| Cp,gas | 663.00 | J/mol×K | 773.83 | Joback Calculated Property |
| Cp,gas | 678.65 | J/mol×K | 810.37 | Joback Calculated Property |
| Cp,gas | 693.24 | J/mol×K | 846.91 | Joback Calculated Property |
| Cp,gas | 706.82 | J/mol×K | 883.45 | Joback Calculated Property |
| Cp,gas | 719.47 | J/mol×K | 919.99 | Joback Calculated Property |
| Cp,gas | 731.25 | J/mol×K | 956.53 | Joback Calculated Property |
| η | [0.0001503; 0.0015855] | Pa×s | [406.42; 737.29] |
|
| η | 0.0015855 | Pa×s | 406.42 | Joback Calculated Property |
| η | 0.0008467 | Pa×s | 461.56 | Joback Calculated Property |
| η | 0.0005170 | Pa×s | 516.71 | Joback Calculated Property |
| η | 0.0003471 | Pa×s | 571.86 | Joback Calculated Property |
| η | 0.0002500 | Pa×s | 627.00 | Joback Calculated Property |
| η | 0.0001899 | Pa×s | 682.14 | Joback Calculated Property |
| η | 0.0001503 | Pa×s | 737.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, 2-methylpent-3-yl ester.
Sources
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