- InChI
- InChI=1S/C16H24O3/c1-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18-2/h9-12H,3-8,13H2,1-2H3
- InChI Key
- JCVLYBQFVTYGKT-UHFFFAOYSA-N
- Formula
- C16H24O3
- SMILES
- CCCCCCCCOc1ccc(C(=O)OC)cc1
- Molecular Weight1
- 264.36
- CAS
- 62435-37-4
- Other Names
-
- Benzoic acid, 4-(octyloxy)-, methyl ester
- benzoic acid, 4-n-octyloxy-, methyl ester
- 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).
- 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° | -152.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.76 | Crippen Calculated Property | |
| logPoct/wat | 4.213 | Crippen Calculated Property | |
| McVol | 225.850 | ml/mol | McGowan Calculated Property |
| Pc | 1723.16 | kPa | Joback Calculated Property |
| Tboil | 695.85 | K | Joback Calculated Property |
| Tc | 890.88 | K | Joback Calculated Property |
| Tfus | 403.41 | K | Joback Calculated Property |
| Vc | 0.866 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.30; 714.61] | J/mol×K | [695.85; 890.88] | 
|
| Cp,gas | 628.30 | J/mol×K | 695.85 | Joback Calculated Property |
| Cp,gas | 644.95 | J/mol×K | 728.35 | Joback Calculated Property |
| Cp,gas | 660.67 | J/mol×K | 760.86 | Joback Calculated Property |
| Cp,gas | 675.49 | J/mol×K | 793.36 | Joback Calculated Property |
| Cp,gas | 689.41 | J/mol×K | 825.87 | Joback Calculated Property |
| Cp,gas | 702.45 | J/mol×K | 858.37 | Joback Calculated Property |
| Cp,gas | 714.61 | J/mol×K | 890.88 | Joback Calculated Property |
| η | [0.0000941; 0.0010218] | Pa×s | [403.41; 695.85] |
|
| η | 0.0010218 | Pa×s | 403.41 | Joback Calculated Property |
| η | 0.0005542 | Pa×s | 452.15 | Joback Calculated Property |
| η | 0.0003386 | Pa×s | 500.89 | Joback Calculated Property |
| η | 0.0002257 | Pa×s | 549.63 | Joback Calculated Property |
| η | 0.0001608 | Pa×s | 598.37 | Joback Calculated Property |
| η | 0.0001205 | Pa×s | 647.11 | Joback Calculated Property |
| η | 0.0000941 | Pa×s | 695.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 4-octyloxybenzoate.
Sources
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