- InChI
- InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-32-28(30)26-20-17-18-21-27(26)29(31)33-24-22-25(2)3/h17-18,20-21,25H,4-16,19,22-24H2,1-3H3
- InChI Key
- XSCFENYEDTXNHF-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1ccccc1
C(=O)OCCC(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 | 1.2942 | Relay (1.0) Calculated Property | |
| ΔfG° | -174.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1019.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.528 | Crippen Calculated Property | |
| McVol | 410.590 | ml/mol | McGowan Calculated Property |
| Pc | 777.64 | kPa | Joback Calculated Property |
| Inp | [3227.00; 3227.00] |
|
|
| Inp | 3227.00 | NIST | |
| Inp | 3227.00 | NIST | |
| Tboil | 693.49 | K | Relay (1.0) Calculated Property |
| Tc | 893.77 | K | Relay (1.0) Calculated Property |
| Tfus | 280.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.554 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1433.30; 1516.63] | J/mol×K | [1046.72; 1288.88] |
|
| Cp,gas | 1433.30 | J/mol×K | 1046.72 | Joback Calculated Property |
| Cp,gas | 1451.71 | J/mol×K | 1087.08 | Joback Calculated Property |
| Cp,gas | 1468.21 | J/mol×K | 1127.44 | Joback Calculated Property |
| Cp,gas | 1482.86 | J/mol×K | 1167.80 | Joback Calculated Property |
| Cp,gas | 1495.77 | J/mol×K | 1208.16 | Joback Calculated Property |
| Cp,gas | 1507.00 | J/mol×K | 1248.52 | Joback Calculated Property |
| Cp,gas | 1516.63 | J/mol×K | 1288.88 | Joback Calculated Property |
| η | [0.0000130; 0.0002283] | Pa×s | [584.85; 1046.72] |
|
| η | 0.0002283 | Pa×s | 584.85 | Joback Calculated Property |
| η | 0.0001073 | Pa×s | 661.83 | Joback Calculated Property |
| η | 0.0000590 | Pa×s | 738.81 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 815.78 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 892.76 | Joback Calculated Property |
| η | 0.0000173 | Pa×s | 969.74 | Joback Calculated Property |
| η | 0.0000130 | Pa×s | 1046.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, hexadecyl 3-methylbutyl ester.
Sources
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