- InChI
- InChI=1S/C21H32O4/c1-2-3-4-5-6-12-17-24-20(22)15-10-11-16-21(23)25-18-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3
- InChI Key
- DECACTMEFWAFRE-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCCCCCOC(=O)CCCCC(=O)OCc1ccc
cc1 - Molecular Weight1
- 348.48
- CAS
- 3089-55-2
- Other Names
-
- benzyl octyl adipate
- 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 | 1.0068 | Relay (1.0) Calculated Property | |
| ΔfG° | -229.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -821.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.194 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1265.55 | kPa | Joback Calculated Property |
| Inp | [2521.00; 2521.00] |
|
|
| Inp | 2521.00 | NIST | |
| Inp | 2521.00 | NIST | |
| Tboil | 640.67 | K | Relay (1.0) Calculated Property |
| Tc | 834.64 | K | Relay (1.0) Calculated Property |
| Tfus | 276.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.123 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.74; 1019.36] | J/mol×K | [859.14; 1059.46] |
|
| Cp,gas | 937.74 | J/mol×K | 859.14 | Joback Calculated Property |
| Cp,gas | 954.16 | J/mol×K | 892.53 | Joback Calculated Property |
| Cp,gas | 969.42 | J/mol×K | 925.91 | Joback Calculated Property |
| Cp,gas | 983.54 | J/mol×K | 959.30 | Joback Calculated Property |
| Cp,gas | 996.55 | J/mol×K | 992.69 | Joback Calculated Property |
| Cp,gas | 1008.48 | J/mol×K | 1026.07 | Joback Calculated Property |
| Cp,gas | 1019.36 | J/mol×K | 1059.46 | Joback Calculated Property |
| η | [0.0000470; 0.0006267] | Pa×s | [497.17; 859.14] |
|
| η | 0.0006267 | Pa×s | 497.17 | Joback Calculated Property |
| η | 0.0003221 | Pa×s | 557.50 | Joback Calculated Property |
| η | 0.0001885 | Pa×s | 617.83 | Joback Calculated Property |
| η | 0.0001214 | Pa×s | 678.15 | Joback Calculated Property |
| η | 0.0000840 | Pa×s | 738.48 | Joback Calculated Property |
| η | 0.0000614 | Pa×s | 798.81 | Joback Calculated Property |
| η | 0.0000470 | Pa×s | 859.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanedioic acid, octyl phenylmethyl ester.
Sources
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