- InChI
- InChI=1S/C33H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-36-32(34)30-26-21-22-27-31(30)33(35)37-29(24-5-2)25-6-3/h21-22,26-27,29H,4-20,23-25,28H2,1-3H3
- InChI Key
- ZVYDPUXWYCNVRW-UHFFFAOYSA-N
- Formula
- C33H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cccc
c1C(=O)OC(CCC)CCC - 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 | 1.4221 | Relay (1.0) Calculated Property | |
| ΔfG° | -140.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1093.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.230 | Crippen Calculated Property | |
| McVol | 466.950 | ml/mol | McGowan Calculated Property |
| Pc | 634.48 | kPa | Joback Calculated Property |
| Inp | 3525.00 | NIST | |
| Tboil | 713.84 | K | Relay (1.0) Calculated Property |
| Tc | 916.87 | K | Relay (1.0) Calculated Property |
| Tfus | 277.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.763 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1689.47; 1772.94] | J/mol×K | [1138.24; 1429.88] | 
|
| Cp,gas | 1689.47 | J/mol×K | 1138.24 | Joback Calculated Property |
| Cp,gas | 1709.60 | J/mol×K | 1186.85 | Joback Calculated Property |
| Cp,gas | 1727.00 | J/mol×K | 1235.45 | Joback Calculated Property |
| Cp,gas | 1741.86 | J/mol×K | 1284.06 | Joback Calculated Property |
| Cp,gas | 1754.36 | J/mol×K | 1332.66 | Joback Calculated Property |
| Cp,gas | 1764.66 | J/mol×K | 1381.27 | Joback Calculated Property |
| Cp,gas | 1772.94 | J/mol×K | 1429.88 | Joback Calculated Property |
| η | [0.0000068; 0.0001320] | Pa×s | [629.93; 1138.24] |
|
| η | 0.0001320 | Pa×s | 629.93 | Joback Calculated Property |
| η | 0.0000602 | Pa×s | 714.65 | Joback Calculated Property |
| η | 0.0000324 | Pa×s | 799.37 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 884.08 | Joback Calculated Property |
| η | 0.0000130 | Pa×s | 968.80 | Joback Calculated Property |
| η | 0.0000092 | Pa×s | 1053.52 | Joback Calculated Property |
| η | 0.0000068 | Pa×s | 1138.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, hept-4-yl octadecyl ester.
Sources
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