- InChI
- InChI=1S/C16H32O2/c1-7-8-9-10-14(3)18-15(17)11-13(2)12-16(4,5)6/h13-14H,7-12H2,1-6H3
- InChI Key
- JCMIYHNMLWJKNR-UHFFFAOYSA-N
- Formula
- C16H32O2
- SMILES
- CCCCCC(C)OC(=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 | 0.6680 | Relay (1.0) Calculated Property | |
| ΔfG° | -152.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.961 | Crippen Calculated Property | |
| McVol | 243.740 | ml/mol | McGowan Calculated Property |
| Pc | 1399.59 | kPa | Joback Calculated Property |
| Inp | [1547.00; 1547.00] |
|
|
| Inp | 1547.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Tboil | 508.07 | K | Relay (1.0) Calculated Property |
| Tc | 698.70 | K | Relay (1.0) Calculated Property |
| Tfus | 239.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.899 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.03; 780.35] | J/mol×K | [637.66; 816.85] |
|
| Cp,gas | 679.03 | J/mol×K | 637.66 | Joback Calculated Property |
| Cp,gas | 698.15 | J/mol×K | 667.53 | Joback Calculated Property |
| Cp,gas | 716.33 | J/mol×K | 697.39 | Joback Calculated Property |
| Cp,gas | 733.62 | J/mol×K | 727.26 | Joback Calculated Property |
| Cp,gas | 750.03 | J/mol×K | 757.12 | Joback Calculated Property |
| Cp,gas | 765.60 | J/mol×K | 786.99 | Joback Calculated Property |
| Cp,gas | 780.35 | J/mol×K | 816.85 | Joback Calculated Property |
| η | [0.0000919; 0.0051517] | Pa×s | [314.66; 637.66] |
|
| η | 0.0051517 | Pa×s | 314.66 | Joback Calculated Property |
| η | 0.0016128 | Pa×s | 368.49 | Joback Calculated Property |
| η | 0.0006789 | Pa×s | 422.33 | Joback Calculated Property |
| η | 0.0003475 | Pa×s | 476.16 | Joback Calculated Property |
| η | 0.0002038 | Pa×s | 529.99 | Joback Calculated Property |
| η | 0.0001319 | Pa×s | 583.83 | Joback Calculated Property |
| η | 0.0000919 | Pa×s | 637.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, hept-2-yl ester.
Sources
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