- InChI
- InChI=1S/C17H24O4/c1-2-3-4-8-13-20-16(18)11-12-17(19)21-14-15-9-6-5-7-10-15/h5-7,9-10H,2-4,8,11-14H2,1H3
- InChI Key
- IROBBPAWTAUBOK-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
- CCCCCCOC(=O)CCC(=O)OCc1ccccc1
- Molecular Weight1
- 292.37
- CAS
- 119450-14-5
- Other Names
-
- Hexyl benzyl succinate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -263.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.02 | kJ/mol | Joback Calculated Property |
| log10WS | -4.26 | Crippen Calculated Property | |
| logPoct/wat | 3.633 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1697.70 | kPa | Joback Calculated Property |
| Inp | [2143.00; 2143.00] |
|
|
| Inp | 2143.00 | NIST | |
| Inp | 2143.00 | NIST | |
| Tboil | 767.62 | K | Joback Calculated Property |
| Tc | 967.25 | K | Joback Calculated Property |
| Tfus | 452.09 | K | Joback Calculated Property |
| Vc | 0.927 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [705.09; 783.32] | J/mol×K | [767.62; 967.25] |
|
| Cp,gas | 705.09 | J/mol×K | 767.62 | Joback Calculated Property |
| Cp,gas | 720.60 | J/mol×K | 800.89 | Joback Calculated Property |
| Cp,gas | 735.10 | J/mol×K | 834.16 | Joback Calculated Property |
| Cp,gas | 748.60 | J/mol×K | 867.43 | Joback Calculated Property |
| Cp,gas | 761.13 | J/mol×K | 900.71 | Joback Calculated Property |
| Cp,gas | 772.69 | J/mol×K | 933.98 | Joback Calculated Property |
| Cp,gas | 783.32 | J/mol×K | 967.25 | Joback Calculated Property |
| η | [0.0000817; 0.0009355] | Pa×s | [452.09; 767.62] |
|
| η | 0.0009355 | Pa×s | 452.09 | Joback Calculated Property |
| η | 0.0005043 | Pa×s | 504.68 | Joback Calculated Property |
| η | 0.0003054 | Pa×s | 557.27 | Joback Calculated Property |
| η | 0.0002017 | Pa×s | 609.86 | Joback Calculated Property |
| η | 0.0001423 | Pa×s | 662.44 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 715.03 | Joback Calculated Property |
| η | 0.0000817 | Pa×s | 767.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, hexyl phenylmethyl ester.
Sources
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