- InChI
- InChI=1S/C15H20O4/c1-2-3-4-5-8-11-19-15(18)13-10-7-6-9-12(13)14(16)17/h6-7,9-10H,2-5,8,11H2,1H3,(H,16,17)
- InChI Key
- DMVQNBGDYPFJCC-UHFFFAOYSA-N
- Formula
- C15H20O4
- SMILES
- CCCCCCCOC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 264.32
- CAS
- 24539-58-0
- 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 | 0.9949 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.512 | Crippen Calculated Property | |
| McVol | 213.330 | ml/mol | McGowan Calculated Property |
| Pc | 2181.56 | kPa | Joback Calculated Property |
| Inp | [2128.00; 2128.00] |
|
|
| Inp | 2128.00 | NIST | |
| Inp | 2128.00 | NIST | |
| Tboil | 608.19 | K | Relay (1.0) Calculated Property |
| Tc | 842.96 | K | Relay (1.0) Calculated Property |
| Tfus | 345.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.14; 685.57] | J/mol×K | [796.60; 994.81] |
|
| Cp,gas | 623.14 | J/mol×K | 796.60 | Joback Calculated Property |
| Cp,gas | 635.53 | J/mol×K | 829.64 | Joback Calculated Property |
| Cp,gas | 647.09 | J/mol×K | 862.67 | Joback Calculated Property |
| Cp,gas | 657.85 | J/mol×K | 895.71 | Joback Calculated Property |
| Cp,gas | 667.84 | J/mol×K | 928.74 | Joback Calculated Property |
| Cp,gas | 677.07 | J/mol×K | 961.78 | Joback Calculated Property |
| Cp,gas | 685.57 | J/mol×K | 994.81 | Joback Calculated Property |
| η | [0.0000251; 0.0007019] | Pa×s | [480.66; 796.60] |
|
| η | 0.0007019 | Pa×s | 480.66 | Joback Calculated Property |
| η | 0.0003062 | Pa×s | 533.32 | Joback Calculated Property |
| η | 0.0001550 | Pa×s | 585.97 | Joback Calculated Property |
| η | 0.0000878 | Pa×s | 638.63 | Joback Calculated Property |
| η | 0.0000542 | Pa×s | 691.29 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 743.94 | Joback Calculated Property |
| η | 0.0000251 | Pa×s | 796.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Heptyloxycarbonyl)benzoic acid.
Sources
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