- InChI
- InChI=1S/C17H26O3/c1-13(2)8-10-19-16-7-5-6-15(12-16)17(18)20-11-9-14(3)4/h5-7,12-14H,8-11H2,1-4H3
- InChI Key
- HJSKFAIZIUUWEE-UHFFFAOYSA-N
- Formula
- C17H26O3
- SMILES
-
CC(C)CCOC(=O)c1cccc(OCCC(C)C)c
1 - Molecular Weight1
- 278.39
- 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° | -148.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.70 | Crippen Calculated Property | |
| logPoct/wat | 4.314 | Crippen Calculated Property | |
| McVol | 239.940 | ml/mol | McGowan Calculated Property |
| Pc | 1614.17 | kPa | Joback Calculated Property |
| Inp | [2009.00; 2009.00] |
|
|
| Inp | 2009.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Tboil | 717.85 | K | Joback Calculated Property |
| Tc | 917.15 | K | Joback Calculated Property |
| Tfus | 384.68 | K | Joback Calculated Property |
| Vc | 0.909 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.79; 774.80] | J/mol×K | [717.85; 917.15] |
|
| Cp,gas | 684.79 | J/mol×K | 717.85 | Joback Calculated Property |
| Cp,gas | 702.32 | J/mol×K | 751.07 | Joback Calculated Property |
| Cp,gas | 718.82 | J/mol×K | 784.28 | Joback Calculated Property |
| Cp,gas | 734.30 | J/mol×K | 817.50 | Joback Calculated Property |
| Cp,gas | 748.78 | J/mol×K | 850.72 | Joback Calculated Property |
| Cp,gas | 762.28 | J/mol×K | 883.94 | Joback Calculated Property |
| Cp,gas | 774.80 | J/mol×K | 917.15 | Joback Calculated Property |
| η | [0.0000711; 0.0013826] | Pa×s | [384.68; 717.85] |
|
| η | 0.0013826 | Pa×s | 384.68 | Joback Calculated Property |
| η | 0.0006173 | Pa×s | 440.21 | Joback Calculated Property |
| η | 0.0003301 | Pa×s | 495.74 | Joback Calculated Property |
| η | 0.0002003 | Pa×s | 551.26 | Joback Calculated Property |
| η | 0.0001332 | Pa×s | 606.79 | Joback Calculated Property |
| η | 0.0000948 | Pa×s | 662.32 | Joback Calculated Property |
| η | 0.0000711 | Pa×s | 717.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-(3-methylbutyl)oxy-, 3-methylbutyl ester.
Sources
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