- InChI
- InChI=1S/C9H18O2/c1-4-6-7-9(3,5-2)11-8-10/h8H,4-7H2,1-3H3
- InChI Key
- XRGVQQICCUIZMF-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCC(C)(CC)OC=O
- Molecular Weight1
- 158.24
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5039 | Relay (1.0) Calculated Property | |
| ΔfusH° | 17.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.29 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2388.85 | kPa | Joback Calculated Property |
| Inp | 1049.00 | NIST | |
| Tboil | 445.77 | K | Relay (1.0) Calculated Property |
| Tc | 630.24 | K | Relay (1.0) Calculated Property |
| Tfus | 213.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.525 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.87; 385.73] | J/mol×K | [459.81; 637.89] | 
|
| Cp,gas | 312.87 | J/mol×K | 459.81 | Joback Calculated Property |
| Cp,gas | 326.78 | J/mol×K | 489.49 | Joback Calculated Property |
| Cp,gas | 339.94 | J/mol×K | 519.17 | Joback Calculated Property |
| Cp,gas | 352.38 | J/mol×K | 548.85 | Joback Calculated Property |
| Cp,gas | 364.14 | J/mol×K | 578.53 | Joback Calculated Property |
| Cp,gas | 375.24 | J/mol×K | 608.21 | Joback Calculated Property |
| Cp,gas | 385.73 | J/mol×K | 637.89 | Joback Calculated Property |
| η | [0.0003903; 0.0042421] | Pa×s | [252.31; 459.81] |
|
| η | 0.0042421 | Pa×s | 252.31 | Joback Calculated Property |
| η | 0.0022428 | Pa×s | 286.89 | Joback Calculated Property |
| η | 0.0013600 | Pa×s | 321.48 | Joback Calculated Property |
| η | 0.0009089 | Pa×s | 356.06 | Joback Calculated Property |
| η | 0.0006523 | Pa×s | 390.64 | Joback Calculated Property |
| η | 0.0004941 | Pa×s | 425.23 | Joback Calculated Property |
| η | 0.0003903 | Pa×s | 459.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 3-methylhept-3-yl ester.
Sources
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