- InChI
- InChI=1S/C17H24O4/c1-5-6-10-20-15(18)13-8-7-9-14(11-13)16(19)21-12-17(2,3)4/h7-9,11H,5-6,10,12H2,1-4H3
- InChI Key
- ZMZPTTXSDXYBPT-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)OCC(C)(C
)C)c1 - Molecular Weight1
- 292.37
- 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° | -269.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.39 | kJ/mol | Joback Calculated Property |
| log10WS | -4.65 | Crippen Calculated Property | |
| logPoct/wat | 3.846 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1703.31 | kPa | Joback Calculated Property |
| Inp | [2110.00; 2110.00] |
|
|
| Inp | 2110.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Tboil | 769.37 | K | Joback Calculated Property |
| Tc | 977.67 | K | Joback Calculated Property |
| Tfus | 467.03 | K | Joback Calculated Property |
| Vc | 0.916 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.20; 784.95] | J/mol×K | [769.37; 977.67] |
|
| Cp,gas | 706.20 | J/mol×K | 769.37 | Joback Calculated Property |
| Cp,gas | 721.92 | J/mol×K | 804.09 | Joback Calculated Property |
| Cp,gas | 736.56 | J/mol×K | 838.80 | Joback Calculated Property |
| Cp,gas | 750.15 | J/mol×K | 873.52 | Joback Calculated Property |
| Cp,gas | 762.72 | J/mol×K | 908.23 | Joback Calculated Property |
| Cp,gas | 774.31 | J/mol×K | 942.95 | Joback Calculated Property |
| Cp,gas | 784.95 | J/mol×K | 977.67 | Joback Calculated Property |
| η | [0.0000668; 0.0007474] | Pa×s | [467.03; 769.37] |
|
| η | 0.0007474 | Pa×s | 467.03 | Joback Calculated Property |
| η | 0.0004108 | Pa×s | 517.42 | Joback Calculated Property |
| η | 0.0002511 | Pa×s | 567.81 | Joback Calculated Property |
| η | 0.0001663 | Pa×s | 618.20 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 668.59 | Joback Calculated Property |
| η | 0.0000867 | Pa×s | 718.98 | Joback Calculated Property |
| η | 0.0000668 | Pa×s | 769.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl neopentyl ester.
Sources
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