- InChI
- InChI=1S/C14H18O4/c1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)
- InChI Key
- XOSNGXNHDRYFEF-UHFFFAOYSA-N
- Formula
- C14H18O4
- SMILES
- CCCCCCOC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 250.29
- CAS
- 24539-57-9
- Other Names
-
- 2-(Hexyloxycarbonyl)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 | 0.9562 | Relay (1.0) Calculated Property | |
| ΔfG° | -329.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -724.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.122 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2391.19 | kPa | Joback Calculated Property |
| Inp | [2023.00; 2023.00] |
|
|
| Inp | 2023.00 | NIST | |
| Inp | 2023.00 | NIST | |
| Tboil | 600.52 | K | Relay (1.0) Calculated Property |
| Tc | 834.37 | K | Relay (1.0) Calculated Property |
| Tfus | 344.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.732 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.52; 628.93] | J/mol×K | [773.72; 972.49] |
|
| Cp,gas | 568.52 | J/mol×K | 773.72 | Joback Calculated Property |
| Cp,gas | 580.49 | J/mol×K | 806.85 | Joback Calculated Property |
| Cp,gas | 591.67 | J/mol×K | 839.98 | Joback Calculated Property |
| Cp,gas | 602.09 | J/mol×K | 873.11 | Joback Calculated Property |
| Cp,gas | 611.76 | J/mol×K | 906.23 | Joback Calculated Property |
| Cp,gas | 620.70 | J/mol×K | 939.36 | Joback Calculated Property |
| Cp,gas | 628.93 | J/mol×K | 972.49 | Joback Calculated Property |
| η | [0.0000298; 0.0008120] | Pa×s | [469.39; 773.72] |
|
| η | 0.0008120 | Pa×s | 469.39 | Joback Calculated Property |
| η | 0.0003578 | Pa×s | 520.11 | Joback Calculated Property |
| η | 0.0001823 | Pa×s | 570.83 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 621.55 | Joback Calculated Property |
| η | 0.0000643 | Pa×s | 672.28 | Joback Calculated Property |
| η | 0.0000426 | Pa×s | 723.00 | Joback Calculated Property |
| η | 0.0000298 | Pa×s | 773.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hexyl hydrogen phthalate.
Sources
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