- InChI
- InChI=1S/C29H48O4/c1-5-6-7-8-9-10-11-12-13-14-17-23-32-28(30)26-21-15-16-22-27(26)29(31)33-25(4)20-18-19-24(2)3/h15-16,21-22,24-25H,5-14,17-20,23H2,1-4H3
- InChI Key
- ILTIGDBNVUDGGH-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OC(C)CCCC(C)C - Molecular Weight1
- 460.69
- 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 | 1.2502 | Relay (1.0) Calculated Property | |
| ΔfG° | -176.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1041.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.526 | Crippen Calculated Property | |
| McVol | 410.590 | ml/mol | McGowan Calculated Property |
| Pc | 781.12 | kPa | Joback Calculated Property |
| Inp | [3105.00; 3105.00] |
|
|
| Inp | 3105.00 | NIST | |
| Inp | 3105.00 | NIST | |
| Tboil | 685.36 | K | Relay (1.0) Calculated Property |
| Tc | 889.61 | K | Relay (1.0) Calculated Property |
| Tfus | 277.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.542 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1433.52; 1515.75] | J/mol×K | [1046.28; 1286.84] |
|
| Cp,gas | 1433.52 | J/mol×K | 1046.28 | Joback Calculated Property |
| Cp,gas | 1451.74 | J/mol×K | 1086.37 | Joback Calculated Property |
| Cp,gas | 1468.04 | J/mol×K | 1126.47 | Joback Calculated Property |
| Cp,gas | 1482.52 | J/mol×K | 1166.56 | Joback Calculated Property |
| Cp,gas | 1495.24 | J/mol×K | 1206.65 | Joback Calculated Property |
| Cp,gas | 1506.29 | J/mol×K | 1246.75 | Joback Calculated Property |
| Cp,gas | 1515.75 | J/mol×K | 1286.84 | Joback Calculated Property |
| η | [0.0000118; 0.0002531] | Pa×s | [569.85; 1046.28] |
|
| η | 0.0002531 | Pa×s | 569.85 | Joback Calculated Property |
| η | 0.0001111 | Pa×s | 649.25 | Joback Calculated Property |
| η | 0.0000584 | Pa×s | 728.66 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 808.06 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 887.47 | Joback Calculated Property |
| η | 0.0000160 | Pa×s | 966.88 | Joback Calculated Property |
| η | 0.0000118 | Pa×s | 1046.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 6-methylhept-2-yl tridecyl ester.
Sources
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