- InChI
- InChI=1S/C23H28O4/c1-6-7-15-26-21(24)17-12-8-9-13-18(17)22(25)27-20-16(2)11-10-14-19(20)23(3,4)5/h8-14H,6-7,15H2,1-5H3
- InChI Key
- SNCQKZNMDFXKDO-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)Oc1c(C)
cccc1C(C)(C)C - Molecular Weight1
- 368.47
- 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° | -126.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.35 | kJ/mol | Joback Calculated Property |
| log10WS | -6.85 | Crippen Calculated Property | |
| logPoct/wat | 5.469 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1373.78 | kPa | Joback Calculated Property |
| Inp | [2548.00; 2548.00] |
|
|
| Inp | 2548.00 | NIST | |
| Inp | 2548.00 | NIST | |
| Tboil | 943.29 | K | Joback Calculated Property |
| Tc | 1172.25 | K | Joback Calculated Property |
| Tfus | 586.11 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.32; 1022.84] | J/mol×K | [943.29; 1172.25] |
|
| Cp,gas | 955.32 | J/mol×K | 943.29 | Joback Calculated Property |
| Cp,gas | 969.74 | J/mol×K | 981.45 | Joback Calculated Property |
| Cp,gas | 982.80 | J/mol×K | 1019.61 | Joback Calculated Property |
| Cp,gas | 994.59 | J/mol×K | 1057.77 | Joback Calculated Property |
| Cp,gas | 1005.15 | J/mol×K | 1095.93 | Joback Calculated Property |
| Cp,gas | 1014.55 | J/mol×K | 1134.09 | Joback Calculated Property |
| Cp,gas | 1022.84 | J/mol×K | 1172.25 | Joback Calculated Property |
| η | [0.0000294; 0.0002586] | Pa×s | [586.11; 943.29] |
|
| η | 0.0002586 | Pa×s | 586.11 | Joback Calculated Property |
| η | 0.0001523 | Pa×s | 645.64 | Joback Calculated Property |
| η | 0.0000981 | Pa×s | 705.17 | Joback Calculated Property |
| η | 0.0000676 | Pa×s | 764.70 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 824.23 | Joback Calculated Property |
| η | 0.0000374 | Pa×s | 883.76 | Joback Calculated Property |
| η | 0.0000294 | Pa×s | 943.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, butyl 2-tert-butyl-6-methylphenyl ester.
Sources
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