- InChI
- InChI=1S/C34H58O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-37-33(35)31-26-21-22-27-32(31)34(36)38-29-30(24-5-2)25-6-3/h21-22,26-27,30H,4-20,23-25,28-29H2,1-3H3
- InChI Key
- CWDXYOBIFBTGBI-UHFFFAOYSA-N
- Formula
- C34H58O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cccc
c1C(=O)OCC(CCC)CCC - Molecular Weight1
- 530.82
- 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 | 1.4491 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1112.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 79.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.478 | Crippen Calculated Property | |
| McVol | 481.040 | ml/mol | McGowan Calculated Property |
| Pc | 604.87 | kPa | Joback Calculated Property |
| Inp | 3645.00 | NIST | |
| Tboil | 726.68 | K | Relay (1.0) Calculated Property |
| Tc | 927.62 | K | Relay (1.0) Calculated Property |
| Tfus | 268.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.804 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1753.98; 1837.28] | J/mol×K | [1161.12; 1469.33] | 
|
| Cp,gas | 1753.98 | J/mol×K | 1161.12 | Joback Calculated Property |
| Cp,gas | 1774.62 | J/mol×K | 1212.49 | Joback Calculated Property |
| Cp,gas | 1792.27 | J/mol×K | 1263.86 | Joback Calculated Property |
| Cp,gas | 1807.14 | J/mol×K | 1315.23 | Joback Calculated Property |
| Cp,gas | 1819.46 | J/mol×K | 1366.59 | Joback Calculated Property |
| Cp,gas | 1829.43 | J/mol×K | 1417.96 | Joback Calculated Property |
| Cp,gas | 1837.28 | J/mol×K | 1469.33 | Joback Calculated Property |
| η | [0.0000058; 0.0001145] | Pa×s | [641.20; 1161.12] |
|
| η | 0.0001145 | Pa×s | 641.20 | Joback Calculated Property |
| η | 0.0000519 | Pa×s | 727.85 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 814.51 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 901.16 | Joback Calculated Property |
| η | 0.0000111 | Pa×s | 987.81 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 1074.47 | Joback Calculated Property |
| η | 0.0000058 | Pa×s | 1161.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, octadecyl 2-propylpentyl ester.
Sources
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