- InChI
- InChI=1S/C8H16O2/c1-7(2)4-5-8(3)10-6-9/h6-8H,4-5H2,1-3H3
- InChI Key
- KBIUZYHWAWGQLP-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CC(C)CCC(C)OC=O
- Molecular Weight1
- 144.21
- 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 | 0.4802 | Relay (1.0) Calculated Property | |
| ΔfG° | -246.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.984 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2621.78 | kPa | Joback Calculated Property |
| Inp | [956.00; 956.00] |
|
|
| Inp | 956.00 | NIST | |
| Inp | 956.00 | NIST | |
| Tboil | 411.56 | K | Relay (1.0) Calculated Property |
| Tc | 593.74 | K | Relay (1.0) Calculated Property |
| Tfus | 215.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.21; 334.82] | J/mol×K | [439.28; 615.72] |
|
| Cp,gas | 268.21 | J/mol×K | 439.28 | Joback Calculated Property |
| Cp,gas | 280.72 | J/mol×K | 468.69 | Joback Calculated Property |
| Cp,gas | 292.64 | J/mol×K | 498.09 | Joback Calculated Property |
| Cp,gas | 303.99 | J/mol×K | 527.50 | Joback Calculated Property |
| Cp,gas | 314.79 | J/mol×K | 556.91 | Joback Calculated Property |
| Cp,gas | 325.06 | J/mol×K | 586.31 | Joback Calculated Property |
| Cp,gas | 334.82 | J/mol×K | 615.72 | Joback Calculated Property |
| η | [0.0003596; 0.0053802] | Pa×s | [208.62; 439.28] |
|
| η | 0.0053802 | Pa×s | 208.62 | Joback Calculated Property |
| η | 0.0024132 | Pa×s | 247.06 | Joback Calculated Property |
| η | 0.0013433 | Pa×s | 285.51 | Joback Calculated Property |
| η | 0.0008593 | Pa×s | 323.95 | Joback Calculated Property |
| η | 0.0006043 | Pa×s | 362.39 | Joback Calculated Property |
| η | 0.0004547 | Pa×s | 400.84 | Joback Calculated Property |
| η | 0.0003596 | Pa×s | 439.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 5-methylhex-2-yl ester.
Sources
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