- InChI
- InChI=1S/C16H30O4/c1-10(2)9-19-15(18)16(7,8)13(11(3)4)14(17)20-12(5)6/h10-13H,9H2,1-8H3
- InChI Key
- JIYRKVLLOCBJHR-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CC(C)COC(=O)C(C)(C)C(C(=O)OC(C
)C)C(C)C - Molecular Weight1
- 286.41
- Other Names
-
- 2,2,4-trimethyl-3-carboxyisopropylpentanoic acid isobutyl ester
- 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° | -390.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -893.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 3.436 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1466.85 | kPa | Joback Calculated Property |
| Inp | 1581.00 | NIST | |
| Tboil | 713.07 | K | Joback Calculated Property |
| Tc | 904.59 | K | Joback Calculated Property |
| Tfus | 356.82 | K | Joback Calculated Property |
| Vc | 0.945 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [737.61; 829.89] | J/mol×K | [713.07; 904.59] | 
|
| Cp,gas | 737.61 | J/mol×K | 713.07 | Joback Calculated Property |
| Cp,gas | 755.46 | J/mol×K | 744.99 | Joback Calculated Property |
| Cp,gas | 772.29 | J/mol×K | 776.91 | Joback Calculated Property |
| Cp,gas | 788.13 | J/mol×K | 808.83 | Joback Calculated Property |
| Cp,gas | 802.99 | J/mol×K | 840.75 | Joback Calculated Property |
| Cp,gas | 816.90 | J/mol×K | 872.67 | Joback Calculated Property |
| Cp,gas | 829.89 | J/mol×K | 904.59 | Joback Calculated Property |
| η | [0.0000565; 0.0034893] | Pa×s | [356.82; 713.07] |
|
| η | 0.0034893 | Pa×s | 356.82 | Joback Calculated Property |
| η | 0.0010748 | Pa×s | 416.20 | Joback Calculated Property |
| η | 0.0004442 | Pa×s | 475.57 | Joback Calculated Property |
| η | 0.0002234 | Pa×s | 534.95 | Joback Calculated Property |
| η | 0.0001289 | Pa×s | 594.32 | Joback Calculated Property |
| η | 0.0000822 | Pa×s | 653.70 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 713.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 2,2,4-trimethyl-3-carboxyisopropyl, isobutyl ester.
Sources
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