- InChI
- InChI=1S/C9H18O2/c1-3-4-5-6-7-9(2)11-8-10/h8-9H,3-7H2,1-2H3
- InChI Key
- CQRBMEAOKCDBEA-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCCCC(C)OC=O
- Molecular Weight1
- 158.24
- 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 | 0.5552 | Relay (1.0) Calculated Property | |
| ΔfG° | -235.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Inp | 1083.00 | NIST | |
| Tboil | 440.27 | K | Relay (1.0) Calculated Property |
| Tc | 620.79 | K | Relay (1.0) Calculated Property |
| Tfus | 230.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.549 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.44; 380.49] | J/mol×K | [462.60; 634.04] | 
|
| Cp,gas | 310.44 | J/mol×K | 462.60 | Joback Calculated Property |
| Cp,gas | 323.53 | J/mol×K | 491.17 | Joback Calculated Property |
| Cp,gas | 336.03 | J/mol×K | 519.75 | Joback Calculated Property |
| Cp,gas | 347.96 | J/mol×K | 548.32 | Joback Calculated Property |
| Cp,gas | 359.33 | J/mol×K | 576.89 | Joback Calculated Property |
| Cp,gas | 370.16 | J/mol×K | 605.47 | Joback Calculated Property |
| Cp,gas | 380.49 | J/mol×K | 634.04 | Joback Calculated Property |
| η | [0.0003691; 0.0039516] | Pa×s | [234.89; 462.60] |
|
| η | 0.0039516 | Pa×s | 234.89 | Joback Calculated Property |
| η | 0.0020222 | Pa×s | 272.84 | Joback Calculated Property |
| η | 0.0012188 | Pa×s | 310.79 | Joback Calculated Property |
| η | 0.0008202 | Pa×s | 348.75 | Joback Calculated Property |
| η | 0.0005965 | Pa×s | 386.70 | Joback Calculated Property |
| η | 0.0004593 | Pa×s | 424.65 | Joback Calculated Property |
| η | 0.0003691 | Pa×s | 462.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, oct-2-yl ester.
Sources
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