- InChI
- InChI=1S/C33H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-36-32(34)30-25-19-20-26-31(30)33(35)37-29(4)24-22-23-28(2)3/h19-20,25-26,28-29H,5-18,21-24,27H2,1-4H3
- InChI Key
- XYHZWRROXCYKAY-UHFFFAOYSA-N
- Formula
- C33H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccccc
1C(=O)OC(C)CCCC(C)C - Molecular Weight1
- 516.80
- 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 | 1.3923 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1124.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.086 | Crippen Calculated Property | |
| McVol | 466.950 | ml/mol | McGowan Calculated Property |
| Pc | 637.05 | kPa | Joback Calculated Property |
| Inp | [3515.00; 3515.00] |
|
|
| Inp | 3515.00 | NIST | |
| Inp | 3515.00 | NIST | |
| Tboil | 711.75 | K | Relay (1.0) Calculated Property |
| Tc | 914.45 | K | Relay (1.0) Calculated Property |
| Tfus | 287.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.760 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1689.45; 1771.10] | J/mol×K | [1137.80; 1425.65] |
|
| Cp,gas | 1689.45 | J/mol×K | 1137.80 | Joback Calculated Property |
| Cp,gas | 1709.19 | J/mol×K | 1185.78 | Joback Calculated Property |
| Cp,gas | 1726.25 | J/mol×K | 1233.75 | Joback Calculated Property |
| Cp,gas | 1740.80 | J/mol×K | 1281.73 | Joback Calculated Property |
| Cp,gas | 1753.01 | J/mol×K | 1329.70 | Joback Calculated Property |
| Cp,gas | 1763.06 | J/mol×K | 1377.68 | Joback Calculated Property |
| Cp,gas | 1771.10 | J/mol×K | 1425.65 | Joback Calculated Property |
| η | [0.0000062; 0.0001443] | Pa×s | [614.93; 1137.80] |
|
| η | 0.0001443 | Pa×s | 614.93 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 702.08 | Joback Calculated Property |
| η | 0.0000318 | Pa×s | 789.22 | Joback Calculated Property |
| η | 0.0000187 | Pa×s | 876.37 | Joback Calculated Property |
| η | 0.0000121 | Pa×s | 963.51 | Joback Calculated Property |
| η | 0.0000084 | Pa×s | 1050.65 | Joback Calculated Property |
| η | 0.0000062 | Pa×s | 1137.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, heptadecyl 6-methylhept-2-yl ester.
Sources
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