- InChI
- InChI=1S/C16H24O3/c1-4-7-13(8-5-2)12-19-16(17)14-9-6-10-15(11-14)18-3/h6,9-11,13H,4-5,7-8,12H2,1-3H3
- InChI Key
- IHUDBBOVDBMFEX-UHFFFAOYSA-N
- Formula
- C16H24O3
- SMILES
- CCCC(CCC)COC(=O)c1cccc(OC)c1
- Molecular Weight1
- 264.36
- 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° | -154.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -530.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 4.068 | Crippen Calculated Property | |
| McVol | 225.850 | ml/mol | McGowan Calculated Property |
| Pc | 1734.67 | kPa | Joback Calculated Property |
| Inp | 1938.00 | NIST | |
| Tboil | 695.41 | K | Joback Calculated Property |
| Tc | 893.53 | K | Joback Calculated Property |
| Tfus | 388.41 | K | Joback Calculated Property |
| Vc | 0.860 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.78; 716.26] | J/mol×K | [695.41; 893.53] | 
|
| Cp,gas | 628.78 | J/mol×K | 695.41 | Joback Calculated Property |
| Cp,gas | 645.72 | J/mol×K | 728.43 | Joback Calculated Property |
| Cp,gas | 661.70 | J/mol×K | 761.45 | Joback Calculated Property |
| Cp,gas | 676.73 | J/mol×K | 794.47 | Joback Calculated Property |
| Cp,gas | 690.82 | J/mol×K | 827.49 | Joback Calculated Property |
| Cp,gas | 704.00 | J/mol×K | 860.51 | Joback Calculated Property |
| Cp,gas | 716.26 | J/mol×K | 893.53 | Joback Calculated Property |
| η | [0.0000871; 0.0012264] | Pa×s | [388.41; 695.41] |
|
| η | 0.0012264 | Pa×s | 388.41 | Joback Calculated Property |
| η | 0.0006106 | Pa×s | 439.58 | Joback Calculated Property |
| η | 0.0003515 | Pa×s | 490.74 | Joback Calculated Property |
| η | 0.0002247 | Pa×s | 541.91 | Joback Calculated Property |
| η | 0.0001551 | Pa×s | 593.08 | Joback Calculated Property |
| η | 0.0001136 | Pa×s | 644.24 | Joback Calculated Property |
| η | 0.0000871 | Pa×s | 695.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxybenzoic acid, 2-propylpentyl ester.
Sources
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