- InChI
- InChI=1S/C21H32O4/c1-5-6-7-8-9-10-14-24-19(22)17-12-11-13-18(15-17)20(23)25-16-21(2,3)4/h11-13,15H,5-10,14,16H2,1-4H3
- InChI Key
- OVHYQGRACRWZEM-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)OCC(
C)(C)C)c1 - Molecular Weight1
- 348.48
- 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° | -236.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.29 | kJ/mol | Joback Calculated Property |
| log10WS | -6.32 | Crippen Calculated Property | |
| logPoct/wat | 5.407 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1269.16 | kPa | Joback Calculated Property |
| Inp | [2520.00; 2520.00] |
|
|
| Inp | 2520.00 | NIST | |
| Inp | 2520.00 | NIST | |
| Tboil | 860.89 | K | Joback Calculated Property |
| Tc | 1066.30 | K | Joback Calculated Property |
| Tfus | 512.11 | K | Joback Calculated Property |
| Vc | 1.141 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.93; 1019.92] | J/mol×K | [860.89; 1066.30] |
|
| Cp,gas | 937.93 | J/mol×K | 860.89 | Joback Calculated Property |
| Cp,gas | 954.39 | J/mol×K | 895.13 | Joback Calculated Property |
| Cp,gas | 969.67 | J/mol×K | 929.36 | Joback Calculated Property |
| Cp,gas | 983.83 | J/mol×K | 963.60 | Joback Calculated Property |
| Cp,gas | 996.89 | J/mol×K | 997.83 | Joback Calculated Property |
| Cp,gas | 1008.90 | J/mol×K | 1032.07 | Joback Calculated Property |
| Cp,gas | 1019.92 | J/mol×K | 1066.30 | Joback Calculated Property |
| η | [0.0000374; 0.0004882] | Pa×s | [512.11; 860.89] |
|
| η | 0.0004882 | Pa×s | 512.11 | Joback Calculated Property |
| η | 0.0002558 | Pa×s | 570.24 | Joback Calculated Property |
| η | 0.0001510 | Pa×s | 628.37 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 686.50 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 744.63 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 802.76 | Joback Calculated Property |
| η | 0.0000374 | Pa×s | 860.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, neopentyl octyl ester.
Sources
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