- InChI
- InChI=1S/C9H18O2/c1-8(6-11-7-10)5-9(2,3)4/h7-8H,5-6H2,1-4H3
- InChI Key
- RVKSKVZDYHFUFB-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CC(COC=O)CC(C)(C)C
- 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 | 0.4673 | Relay (1.0) Calculated Property | |
| ΔfG° | -232.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.232 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2407.64 | kPa | Joback Calculated Property |
| Inp | 1007.00 | NIST | |
| Tboil | 444.82 | K | Relay (1.0) Calculated Property |
| Tc | 619.44 | K | Relay (1.0) Calculated Property |
| Tfus | 202.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.510 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.97; 387.58] | J/mol×K | [459.37; 641.35] | 
|
| Cp,gas | 312.97 | J/mol×K | 459.37 | Joback Calculated Property |
| Cp,gas | 327.27 | J/mol×K | 489.70 | Joback Calculated Property |
| Cp,gas | 340.77 | J/mol×K | 520.03 | Joback Calculated Property |
| Cp,gas | 353.52 | J/mol×K | 550.36 | Joback Calculated Property |
| Cp,gas | 365.55 | J/mol×K | 580.69 | Joback Calculated Property |
| Cp,gas | 376.89 | J/mol×K | 611.02 | Joback Calculated Property |
| Cp,gas | 387.58 | J/mol×K | 641.35 | Joback Calculated Property |
| η | [0.0003717; 0.0060777] | Pa×s | [237.31; 459.37] |
|
| η | 0.0060777 | Pa×s | 237.31 | Joback Calculated Property |
| η | 0.0027863 | Pa×s | 274.32 | Joback Calculated Property |
| η | 0.0015376 | Pa×s | 311.33 | Joback Calculated Property |
| η | 0.0009628 | Pa×s | 348.34 | Joback Calculated Property |
| η | 0.0006596 | Pa×s | 385.35 | Joback Calculated Property |
| η | 0.0004828 | Pa×s | 422.36 | Joback Calculated Property |
| η | 0.0003717 | Pa×s | 459.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 2,4,4-trimethylpentyl ester.
Sources
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