- InChI
- InChI=1S/C16H22O3/c1-5-8-12-9-10-14(15(11-12)18-4)19-16(17)13(6-2)7-3/h5,8-11,13H,6-7H2,1-4H3
- InChI Key
- KEANZVAQMYREAC-UHFFFAOYSA-N
- Formula
- C16H22O3
- SMILES
-
CC=Cc1ccc(OC(=O)C(CC)CC)c(OC)c
1 - Molecular Weight1
- 262.34
- 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° | -84.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -425.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.95 | kJ/mol | Joback Calculated Property |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 4.070 | Crippen Calculated Property | |
| McVol | 221.550 | ml/mol | McGowan Calculated Property |
| Pc | 1789.39 | kPa | Joback Calculated Property |
| Inp | [1792.00; 1792.00] |
|
|
| Inp | 1792.00 | NIST | |
| Inp | 1792.00 | NIST | |
| Tboil | 704.55 | K | Joback Calculated Property |
| Tc | 910.32 | K | Joback Calculated Property |
| Tfus | 395.85 | K | Joback Calculated Property |
| Vc | 0.840 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [605.42; 689.42] | J/mol×K | [704.55; 910.32] |
|
| Cp,gas | 605.42 | J/mol×K | 704.55 | Joback Calculated Property |
| Cp,gas | 621.74 | J/mol×K | 738.85 | Joback Calculated Property |
| Cp,gas | 637.10 | J/mol×K | 773.14 | Joback Calculated Property |
| Cp,gas | 651.53 | J/mol×K | 807.44 | Joback Calculated Property |
| Cp,gas | 665.05 | J/mol×K | 841.73 | Joback Calculated Property |
| Cp,gas | 677.67 | J/mol×K | 876.03 | Joback Calculated Property |
| Cp,gas | 689.42 | J/mol×K | 910.32 | Joback Calculated Property |
| η | [0.0000750; 0.0009069] | Pa×s | [395.85; 704.55] |
|
| η | 0.0009069 | Pa×s | 395.85 | Joback Calculated Property |
| η | 0.0004713 | Pa×s | 447.30 | Joback Calculated Property |
| η | 0.0002804 | Pa×s | 498.75 | Joback Calculated Property |
| η | 0.0001838 | Pa×s | 550.20 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 601.65 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 653.10 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 704.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pseudoisoeugenyl 2-methylbutyrate II.
Sources
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