- InChI
- InChI=1S/C16H22O4/c1-2-3-4-5-6-9-12-20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18)
- InChI Key
- PKIYFBICNICNGJ-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
- CCCCCCCCOC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 278.34
- CAS
- 5393-19-1
- Other Names
-
- 2-(Octyloxycarbonyl)benzoic acid
- 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 | 1.0322 | Relay (1.0) Calculated Property | |
| ΔfG° | -313.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -765.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.902 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | [2236.00; 2236.00] |
|
|
| Inp | 2236.00 | NIST | |
| Inp | 2236.00 | NIST | |
| Tboil | 615.22 | K | Relay (1.0) Calculated Property |
| Tc | 851.09 | K | Relay (1.0) Calculated Property |
| Tfus | 347.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.842 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.76; 743.02] | J/mol×K | [819.48; 1017.75] |
|
| Cp,gas | 678.76 | J/mol×K | 819.48 | Joback Calculated Property |
| Cp,gas | 691.54 | J/mol×K | 852.53 | Joback Calculated Property |
| Cp,gas | 703.46 | J/mol×K | 885.57 | Joback Calculated Property |
| Cp,gas | 714.54 | J/mol×K | 918.62 | Joback Calculated Property |
| Cp,gas | 724.81 | J/mol×K | 951.66 | Joback Calculated Property |
| Cp,gas | 734.30 | J/mol×K | 984.71 | Joback Calculated Property |
| Cp,gas | 743.02 | J/mol×K | 1017.75 | Joback Calculated Property |
| η | [0.0000211; 0.0006051] | Pa×s | [491.93; 819.48] |
|
| η | 0.0006051 | Pa×s | 491.93 | Joback Calculated Property |
| η | 0.0002614 | Pa×s | 546.52 | Joback Calculated Property |
| η | 0.0001315 | Pa×s | 601.11 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 655.70 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 710.30 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 764.89 | Joback Calculated Property |
| η | 0.0000211 | Pa×s | 819.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to octyl hydrogen phthalate.
Sources
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