- InChI
- InChI=1S/C8H14O2/c1-3-5-8(2)6-4-7(9)10-8/h3-6H2,1-2H3
- InChI Key
- YSNGVCQTXRIIED-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CCCC1(C)CCC(=O)O1
- Molecular Weight1
- 142.20
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- I : 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 | 0.4344 | Relay (1.0) Calculated Property | |
| ΔfG° | -161.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.882 | Crippen Calculated Property | |
| McVol | 120.160 | ml/mol | McGowan Calculated Property |
| Pc | 3322.01 | kPa | Joback Calculated Property |
| Inp | 1150.00 | NIST | |
| I | 1760.00 | NIST | |
| Tboil | 509.23 | K | Relay (1.0) Calculated Property |
| Tc | 673.43 | K | Relay (1.0) Calculated Property |
| Tfus | 219.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.441 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.93; 358.40] | J/mol×K | [492.73; 712.64] | 
|
| Cp,gas | 277.93 | J/mol×K | 492.73 | Joback Calculated Property |
| Cp,gas | 293.32 | J/mol×K | 529.38 | Joback Calculated Property |
| Cp,gas | 307.79 | J/mol×K | 566.03 | Joback Calculated Property |
| Cp,gas | 321.45 | J/mol×K | 602.68 | Joback Calculated Property |
| Cp,gas | 334.37 | J/mol×K | 639.33 | Joback Calculated Property |
| Cp,gas | 346.66 | J/mol×K | 675.98 | Joback Calculated Property |
| Cp,gas | 358.40 | J/mol×K | 712.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-4-heptanolide.
Sources
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