- InChI
- InChI=1S/C17H26O2/c1-4-5-6-7-8-9-13-17(18)19-16-12-10-11-14(2)15(16)3/h10-12H,4-9,13H2,1-3H3
- InChI Key
- QCWAARQRPVKNFR-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
- CCCCCCCCC(=O)Oc1cccc(C)c1C
- Molecular Weight1
- 262.39
- 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 | 0.8003 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.959 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1596.17 | kPa | Joback Calculated Property |
| Inp | 2013.00 | NIST | |
| Tboil | 588.46 | K | Relay (1.0) Calculated Property |
| Tc | 801.03 | K | Relay (1.0) Calculated Property |
| Tfus | 299.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.876 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.31; 744.04] | J/mol×K | [701.29; 896.38] | 
|
| Cp,gas | 654.31 | J/mol×K | 701.29 | Joback Calculated Property |
| Cp,gas | 671.53 | J/mol×K | 733.80 | Joback Calculated Property |
| Cp,gas | 687.82 | J/mol×K | 766.32 | Joback Calculated Property |
| Cp,gas | 703.19 | J/mol×K | 798.83 | Joback Calculated Property |
| Cp,gas | 717.67 | J/mol×K | 831.35 | Joback Calculated Property |
| Cp,gas | 731.28 | J/mol×K | 863.86 | Joback Calculated Property |
| Cp,gas | 744.04 | J/mol×K | 896.38 | Joback Calculated Property |
| η | [0.0001077; 0.0010807] | Pa×s | [404.97; 701.29] |
|
| η | 0.0010807 | Pa×s | 404.97 | Joback Calculated Property |
| η | 0.0005971 | Pa×s | 454.36 | Joback Calculated Property |
| η | 0.0003706 | Pa×s | 503.74 | Joback Calculated Property |
| η | 0.0002505 | Pa×s | 553.13 | Joback Calculated Property |
| η | 0.0001805 | Pa×s | 602.52 | Joback Calculated Property |
| η | 0.0001367 | Pa×s | 651.90 | Joback Calculated Property |
| η | 0.0001077 | Pa×s | 701.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonanoic acid, 2,3-dimethylphenyl ester.
Sources
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