- InChI
- InChI=1S/C17H32O2/c1-7-8-9-10-11-15(3)19-16(18)12-14(2)13-17(4,5)6/h10-11,14-15H,7-9,12-13H2,1-6H3/b11-10+
- InChI Key
- NSCGWDUQAUOFFR-ZHACJKMWSA-N
- Formula
- C17H32O2
- SMILES
-
CCCCC=CC(C)OC(=O)CC(C)CC(C)(C)
C - Molecular Weight1
- 268.43
- 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° | -63.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.48 | kJ/mol | Joback Calculated Property |
| log10WS | -5.28 | Crippen Calculated Property | |
| logPoct/wat | 5.127 | Crippen Calculated Property | |
| McVol | 253.530 | ml/mol | McGowan Calculated Property |
| Pc | 1354.63 | kPa | Joback Calculated Property |
| Inp | [1637.00; 1637.00] |
|
|
| Inp | 1637.00 | NIST | |
| Inp | 1637.00 | NIST | |
| Tboil | 664.70 | K | Joback Calculated Property |
| Tc | 848.69 | K | Joback Calculated Property |
| Tfus | 320.85 | K | Joback Calculated Property |
| Vc | 0.969 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [714.08; 814.44] | J/mol×K | [664.70; 848.69] |
|
| Cp,gas | 714.08 | J/mol×K | 664.70 | Joback Calculated Property |
| Cp,gas | 733.12 | J/mol×K | 695.36 | Joback Calculated Property |
| Cp,gas | 751.17 | J/mol×K | 726.03 | Joback Calculated Property |
| Cp,gas | 768.29 | J/mol×K | 756.69 | Joback Calculated Property |
| Cp,gas | 784.51 | J/mol×K | 787.36 | Joback Calculated Property |
| Cp,gas | 799.88 | J/mol×K | 818.02 | Joback Calculated Property |
| Cp,gas | 814.44 | J/mol×K | 848.69 | Joback Calculated Property |
| η | [0.0000685; 0.0043326] | Pa×s | [320.85; 664.70] |
|
| η | 0.0043326 | Pa×s | 320.85 | Joback Calculated Property |
| η | 0.0012858 | Pa×s | 378.16 | Joback Calculated Property |
| η | 0.0005254 | Pa×s | 435.47 | Joback Calculated Property |
| η | 0.0002644 | Pa×s | 492.77 | Joback Calculated Property |
| η | 0.0001535 | Pa×s | 550.08 | Joback Calculated Property |
| η | 0.0000987 | Pa×s | 607.39 | Joback Calculated Property |
| η | 0.0000685 | Pa×s | 664.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, oct-3-en-2-yl ester.
Sources
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