- InChI
- InChI=1S/C7H14O2/c1-6(2)4-7(3)9-5-8/h5-7H,4H2,1-3H3
- InChI Key
- VJKXDWCVZONWBR-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CC(C)CC(C)OC=O
- Molecular Weight1
- 130.18
- 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 | 0.4368 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.594 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Inp | 828.00 | NIST | |
| Tboil | 391.95 | K | Relay (1.0) Calculated Property |
| Tc | 562.57 | K | Relay (1.0) Calculated Property |
| Tfus | 203.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.27; 302.84] | J/mol×K | [429.76; 609.26] | 
|
| Cp,gas | 240.27 | J/mol×K | 429.76 | Joback Calculated Property |
| Cp,gas | 251.70 | J/mol×K | 459.68 | Joback Calculated Property |
| Cp,gas | 262.72 | J/mol×K | 489.59 | Joback Calculated Property |
| Cp,gas | 273.35 | J/mol×K | 519.51 | Joback Calculated Property |
| Cp,gas | 283.58 | J/mol×K | 549.42 | Joback Calculated Property |
| Cp,gas | 293.40 | J/mol×K | 579.34 | Joback Calculated Property |
| Cp,gas | 302.84 | J/mol×K | 609.26 | Joback Calculated Property |
| η | [0.0002613; 0.0089962] | Pa×s | [202.88; 429.76] |
|
| η | 0.0089962 | Pa×s | 202.88 | Joback Calculated Property |
| η | 0.0031385 | Pa×s | 240.69 | Joback Calculated Property |
| η | 0.0014574 | Pa×s | 278.51 | Joback Calculated Property |
| η | 0.0008130 | Pa×s | 316.32 | Joback Calculated Property |
| η | 0.0005137 | Pa×s | 354.13 | Joback Calculated Property |
| η | 0.0003547 | Pa×s | 391.95 | Joback Calculated Property |
| η | 0.0002613 | Pa×s | 429.76 | Joback Calculated Property |
Similar Compounds
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Sources
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