- 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).
- 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 | 0.5039 | Relay (1.0) Calculated Property | |
| ΔfG° | -176.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | 1049.00 | NIST | |
| Tboil | 445.77 | K | Relay (1.0) Calculated Property |
| Tc | 622.27 | K | Relay (1.0) Calculated Property |
| Tfus | 216.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.517 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.49; 401.43] | J/mol×K | [473.17; 652.76] | 
|
| Cp,gas | 326.49 | J/mol×K | 473.17 | Joback Calculated Property |
| Cp,gas | 340.50 | J/mol×K | 503.10 | Joback Calculated Property |
| Cp,gas | 353.87 | J/mol×K | 533.03 | Joback Calculated Property |
| Cp,gas | 366.64 | J/mol×K | 562.96 | Joback Calculated Property |
| Cp,gas | 378.81 | J/mol×K | 592.90 | Joback Calculated Property |
| Cp,gas | 390.40 | J/mol×K | 622.83 | Joback Calculated Property |
| Cp,gas | 401.43 | J/mol×K | 652.76 | Joback Calculated Property |
| η | [0.0002581; 0.0053072] | Pa×s | [257.84; 473.17] |
|
| η | 0.0053072 | Pa×s | 257.84 | Joback Calculated Property |
| η | 0.0023567 | Pa×s | 293.73 | Joback Calculated Property |
| η | 0.0012489 | Pa×s | 329.62 | Joback Calculated Property |
| η | 0.0007497 | Pa×s | 365.50 | Joback Calculated Property |
| η | 0.0004931 | Pa×s | 401.39 | Joback Calculated Property |
| η | 0.0003474 | Pa×s | 437.28 | Joback Calculated Property |
| η | 0.0002581 | Pa×s | 473.17 | Joback Calculated Property |
Similar Compounds
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Sources
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