- InChI
- InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-14-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22(6-3)18-5-2/h15-16,19-20,22H,4-14,17-18,21H2,1-3H3
- InChI Key
- QKKKGMKEKPKSRR-UHFFFAOYSA-N
- Formula
- C26H42O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)OC(CC)CCC - Molecular Weight1
- 418.61
- 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 | 1.1776 | Relay (1.0) Calculated Property | |
| ΔfG° | -199.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -955.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.500 | Crippen Calculated Property | |
| McVol | 368.320 | ml/mol | McGowan Calculated Property |
| Pc | 919.39 | kPa | Joback Calculated Property |
| Inp | 2857.00 | NIST | |
| Tboil | 670.14 | K | Relay (1.0) Calculated Property |
| Tc | 873.99 | K | Relay (1.0) Calculated Property |
| Tfus | 260.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.383 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1244.04; 1326.73] | J/mol×K | [978.08; 1197.65] | 
|
| Cp,gas | 1244.04 | J/mol×K | 978.08 | Joback Calculated Property |
| Cp,gas | 1261.53 | J/mol×K | 1014.67 | Joback Calculated Property |
| Cp,gas | 1277.47 | J/mol×K | 1051.27 | Joback Calculated Property |
| Cp,gas | 1291.91 | J/mol×K | 1087.86 | Joback Calculated Property |
| Cp,gas | 1304.90 | J/mol×K | 1124.46 | Joback Calculated Property |
| Cp,gas | 1316.49 | J/mol×K | 1161.05 | Joback Calculated Property |
| Cp,gas | 1326.73 | J/mol×K | 1197.65 | Joback Calculated Property |
| η | [0.0000207; 0.0003362] | Pa×s | [551.04; 978.08] |
|
| η | 0.0003362 | Pa×s | 551.04 | Joback Calculated Property |
| η | 0.0001620 | Pa×s | 622.21 | Joback Calculated Property |
| η | 0.0000907 | Pa×s | 693.39 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 764.56 | Joback Calculated Property |
| η | 0.0000383 | Pa×s | 835.73 | Joback Calculated Property |
| η | 0.0000275 | Pa×s | 906.91 | Joback Calculated Property |
| η | 0.0000207 | Pa×s | 978.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, dodecyl hex-3-yl ester.
Sources
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