- InChI
- InChI=1S/C16H32O2/c1-6-7-8-9-10-11-18-15(17)12-14(2)13-16(3,4)5/h14H,6-13H2,1-5H3
- InChI Key
- CRMRELGFDICVHJ-UHFFFAOYSA-N
- Formula
- C16H32O2
- SMILES
- CCCCCCCOC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 256.42
- 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 | 0.7097 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.962 | Crippen Calculated Property | |
| McVol | 243.740 | ml/mol | McGowan Calculated Property |
| Pc | 1391.25 | kPa | Joback Calculated Property |
| Inp | [1637.00; 1637.00] |
|
|
| Inp | 1637.00 | NIST | |
| Inp | 1637.00 | NIST | |
| Tboil | 531.18 | K | Relay (1.0) Calculated Property |
| Tc | 713.57 | K | Relay (1.0) Calculated Property |
| Tfus | 237.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.66; 778.51] | J/mol×K | [638.10; 814.57] |
|
| Cp,gas | 678.66 | J/mol×K | 638.10 | Joback Calculated Property |
| Cp,gas | 697.45 | J/mol×K | 667.51 | Joback Calculated Property |
| Cp,gas | 715.34 | J/mol×K | 696.92 | Joback Calculated Property |
| Cp,gas | 732.36 | J/mol×K | 726.34 | Joback Calculated Property |
| Cp,gas | 748.54 | J/mol×K | 755.75 | Joback Calculated Property |
| Cp,gas | 763.92 | J/mol×K | 785.16 | Joback Calculated Property |
| Cp,gas | 778.51 | J/mol×K | 814.57 | Joback Calculated Property |
| η | [0.0000987; 0.0036579] | Pa×s | [329.66; 638.10] |
|
| η | 0.0036579 | Pa×s | 329.66 | Joback Calculated Property |
| η | 0.0013347 | Pa×s | 381.07 | Joback Calculated Property |
| η | 0.0006189 | Pa×s | 432.47 | Joback Calculated Property |
| η | 0.0003379 | Pa×s | 483.88 | Joback Calculated Property |
| η | 0.0002072 | Pa×s | 535.29 | Joback Calculated Property |
| η | 0.0001385 | Pa×s | 586.69 | Joback Calculated Property |
| η | 0.0000987 | Pa×s | 638.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, heptyl ester.
Sources
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