- InChI
- InChI=1S/C16H22O4/c1-3-4-5-6-9-12(2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)
- InChI Key
- DUJBEEUYBSLMGM-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
- CCCCCCC(C)OC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 278.34
- CAS
- 68296-97-9
- Other Names
-
- 2-((Octan-2-yloxy)carbonyl)benzoic acid
- 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° | -315.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 3.901 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 2012.70 | kPa | Joback Calculated Property |
| Inp | [2143.00; 2143.00] |
|
|
| Inp | 2143.00 | NIST | |
| Inp | 2143.00 | NIST | |
| Tboil | 819.04 | K | Joback Calculated Property |
| Tc | 1019.27 | K | Joback Calculated Property |
| Tfus | 476.93 | K | Joback Calculated Property |
| Vc | 0.867 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.33; 743.90] | J/mol×K | [819.04; 1019.27] |
|
| Cp,gas | 679.33 | J/mol×K | 819.04 | Joback Calculated Property |
| Cp,gas | 692.23 | J/mol×K | 852.41 | Joback Calculated Property |
| Cp,gas | 704.24 | J/mol×K | 885.78 | Joback Calculated Property |
| Cp,gas | 715.38 | J/mol×K | 919.15 | Joback Calculated Property |
| Cp,gas | 725.69 | J/mol×K | 952.52 | Joback Calculated Property |
| Cp,gas | 735.19 | J/mol×K | 985.90 | Joback Calculated Property |
| Cp,gas | 743.90 | J/mol×K | 1019.27 | Joback Calculated Property |
| η | [0.0000193; 0.0007462] | Pa×s | [476.93; 819.04] |
|
| η | 0.0007462 | Pa×s | 476.93 | Joback Calculated Property |
| η | 0.0002933 | Pa×s | 533.95 | Joback Calculated Property |
| η | 0.0001380 | Pa×s | 590.97 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 647.99 | Joback Calculated Property |
| η | 0.0000441 | Pa×s | 705.00 | Joback Calculated Property |
| η | 0.0000283 | Pa×s | 762.02 | Joback Calculated Property |
| η | 0.0000193 | Pa×s | 819.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (±)-2-octyl hydrogen phthalate.
Sources
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