- InChI
- InChI=1S/C19H30O2/c1-13(2)16-9-8-15(4)17(11-16)21-18(20)10-14(3)12-19(5,6)7/h8-9,11,13-14H,10,12H2,1-7H3
- InChI Key
- RLEOHAZINPWGHO-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
-
Cc1ccc(C(C)C)cc1OC(=O)CC(C)CC(
C)(C)C - Molecular Weight1
- 290.44
- 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° | -33.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.57 | kJ/mol | Joback Calculated Property |
| log10WS | -5.89 | Crippen Calculated Property | |
| logPoct/wat | 5.486 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1413.31 | kPa | Joback Calculated Property |
| Inp | 1905.00 | NIST | |
| Tboil | 742.94 | K | Joback Calculated Property |
| Tc | 948.99 | K | Joback Calculated Property |
| Tfus | 399.93 | K | Joback Calculated Property |
| Vc | 0.993 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [770.41; 866.72] | J/mol×K | [742.94; 948.99] | 
|
| Cp,gas | 770.41 | J/mol×K | 742.94 | Joback Calculated Property |
| Cp,gas | 789.22 | J/mol×K | 777.28 | Joback Calculated Property |
| Cp,gas | 806.86 | J/mol×K | 811.62 | Joback Calculated Property |
| Cp,gas | 823.38 | J/mol×K | 845.96 | Joback Calculated Property |
| Cp,gas | 838.83 | J/mol×K | 880.30 | Joback Calculated Property |
| Cp,gas | 853.26 | J/mol×K | 914.65 | Joback Calculated Property |
| Cp,gas | 866.72 | J/mol×K | 948.99 | Joback Calculated Property |
| η | [0.0000593; 0.0013627] | Pa×s | [399.93; 742.94] |
|
| η | 0.0013627 | Pa×s | 399.93 | Joback Calculated Property |
| η | 0.0005830 | Pa×s | 457.10 | Joback Calculated Property |
| η | 0.0003013 | Pa×s | 514.27 | Joback Calculated Property |
| η | 0.0001777 | Pa×s | 571.44 | Joback Calculated Property |
| η | 0.0001153 | Pa×s | 628.60 | Joback Calculated Property |
| η | 0.0000805 | Pa×s | 685.77 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 742.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Isopropyl-2-methylphenyl 3,5,5-trimethylhexanoate.
Sources
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