- InChI
- InChI=1S/C17H18O4/c1-12(2)20-15-9-4-5-10-16(15)21-17(18)13-7-6-8-14(11-13)19-3/h4-12H,1-3H3
- InChI Key
- CDBFQNMZHJGSBJ-UHFFFAOYSA-N
- Formula
- C17H18O4
- SMILES
-
COc1cccc(C(=O)Oc2ccccc2OC(C)C)
c1 - Molecular Weight1
- 286.32
- 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 | 0.7683 | Relay (1.0) Calculated Property | |
| ΔfG° | -148.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.702 | Crippen Calculated Property | |
| McVol | 222.050 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [1985.40; 1985.40] |
|
|
| Inp | 1985.40 | NIST | |
| Inp | 1985.40 | NIST | |
| Tboil | 629.27 | K | Relay (1.0) Calculated Property |
| Tc | 869.08 | K | Relay (1.0) Calculated Property |
| Tfus | 345.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.824 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.08; 698.52] | J/mol×K | [772.37; 1000.99] |
|
| Cp,gas | 625.08 | J/mol×K | 772.37 | Joback Calculated Property |
| Cp,gas | 640.47 | J/mol×K | 810.47 | Joback Calculated Property |
| Cp,gas | 654.59 | J/mol×K | 848.58 | Joback Calculated Property |
| Cp,gas | 667.44 | J/mol×K | 886.68 | Joback Calculated Property |
| Cp,gas | 679.05 | J/mol×K | 924.78 | Joback Calculated Property |
| Cp,gas | 689.41 | J/mol×K | 962.89 | Joback Calculated Property |
| Cp,gas | 698.52 | J/mol×K | 1000.99 | Joback Calculated Property |
| η | [0.0000600; 0.0005475] | Pa×s | [460.85; 772.37] |
|
| η | 0.0005475 | Pa×s | 460.85 | Joback Calculated Property |
| η | 0.0003143 | Pa×s | 512.77 | Joback Calculated Property |
| η | 0.0001998 | Pa×s | 564.69 | Joback Calculated Property |
| η | 0.0001371 | Pa×s | 616.61 | Joback Calculated Property |
| η | 0.0000998 | Pa×s | 668.53 | Joback Calculated Property |
| η | 0.0000760 | Pa×s | 720.45 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 772.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Methoxybenzoic acid, 2-isopropoxyphenyl ester.
Sources
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