- InChI
- InChI=1S/C16H22O4/c1-5-9-19-14(17)12-7-6-8-13(10-12)15(18)20-11-16(2,3)4/h6-8,10H,5,9,11H2,1-4H3
- InChI Key
- OYBYREZPPLVSJG-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OCC(C)(C)
C)c1 - Molecular Weight1
- 278.34
- 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° | -278.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -646.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 3.456 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1846.75 | kPa | Joback Calculated Property |
| Inp | [1996.00; 1996.00] |
|
|
| Inp | 1996.00 | NIST | |
| Inp | 1996.00 | NIST | |
| Tboil | 746.49 | K | Joback Calculated Property |
| Tc | 956.97 | K | Joback Calculated Property |
| Tfus | 455.76 | K | Joback Calculated Property |
| Vc | 0.861 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.59; 728.11] | J/mol×K | [746.49; 956.97] |
|
| Cp,gas | 650.59 | J/mol×K | 746.49 | Joback Calculated Property |
| Cp,gas | 666.06 | J/mol×K | 781.57 | Joback Calculated Property |
| Cp,gas | 680.47 | J/mol×K | 816.65 | Joback Calculated Property |
| Cp,gas | 693.85 | J/mol×K | 851.73 | Joback Calculated Property |
| Cp,gas | 706.22 | J/mol×K | 886.81 | Joback Calculated Property |
| Cp,gas | 717.63 | J/mol×K | 921.89 | Joback Calculated Property |
| Cp,gas | 728.11 | J/mol×K | 956.97 | Joback Calculated Property |
| η | [0.0000767; 0.0008221] | Pa×s | [455.76; 746.49] |
|
| η | 0.0008221 | Pa×s | 455.76 | Joback Calculated Property |
| η | 0.0004578 | Pa×s | 504.22 | Joback Calculated Property |
| η | 0.0002825 | Pa×s | 552.67 | Joback Calculated Property |
| η | 0.0001884 | Pa×s | 601.12 | Joback Calculated Property |
| η | 0.0001335 | Pa×s | 649.58 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 698.03 | Joback Calculated Property |
| η | 0.0000767 | Pa×s | 746.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, neopentyl propyl ester.
Sources
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