- InChI
- InChI=1S/C23H36O4/c1-5-6-7-8-9-10-11-12-16-26-21(24)19-14-13-15-20(17-19)22(25)27-18-23(2,3)4/h13-15,17H,5-12,16,18H2,1-4H3
- InChI Key
- FSANWLFBIWWHDC-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)OC
C(C)(C)C)c1 - Molecular Weight1
- 376.53
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0664 | Relay (1.0) Calculated Property | |
| ΔfG° | -219.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -924.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.187 | Crippen Calculated Property | |
| McVol | 326.050 | ml/mol | McGowan Calculated Property |
| Pc | 1111.85 | kPa | Joback Calculated Property |
| Inp | [2725.00; 2725.00] |
|
|
| Inp | 2725.00 | NIST | |
| Inp | 2725.00 | NIST | |
| Tboil | 656.66 | K | Relay (1.0) Calculated Property |
| Tc | 851.13 | K | Relay (1.0) Calculated Property |
| Tfus | 328.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.236 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.41; 1141.65] | J/mol×K | [906.65; 1114.81] |
|
| Cp,gas | 1058.41 | J/mol×K | 906.65 | Joback Calculated Property |
| Cp,gas | 1075.23 | J/mol×K | 941.34 | Joback Calculated Property |
| Cp,gas | 1090.81 | J/mol×K | 976.04 | Joback Calculated Property |
| Cp,gas | 1105.18 | J/mol×K | 1010.73 | Joback Calculated Property |
| Cp,gas | 1118.41 | J/mol×K | 1045.42 | Joback Calculated Property |
| Cp,gas | 1130.55 | J/mol×K | 1080.12 | Joback Calculated Property |
| Cp,gas | 1141.65 | J/mol×K | 1114.81 | Joback Calculated Property |
| η | [0.0000276; 0.0003857] | Pa×s | [534.65; 906.65] |
|
| η | 0.0003857 | Pa×s | 534.65 | Joback Calculated Property |
| η | 0.0001978 | Pa×s | 596.65 | Joback Calculated Property |
| η | 0.0001150 | Pa×s | 658.65 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 720.65 | Joback Calculated Property |
| η | 0.0000503 | Pa×s | 782.65 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 844.65 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 906.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, decyl neopentyl ester.
Sources
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