- InChI
- InChI=1S/C10H18O2/c1-5-6-7(2)8-10(3,4)9(11)12-8/h7-8H,5-6H2,1-4H3
- InChI Key
- YQQGTMIMGKGIMY-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CCCC(C)C1OC(=O)C1(C)C
- Molecular Weight1
- 170.25
- CAS
- 18523-60-9
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -142.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.85 | kJ/mol | Joback Calculated Property |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 2.374 | Crippen Calculated Property | |
| McVol | 148.340 | ml/mol | McGowan Calculated Property |
| Pc | 2558.51 | kPa | Joback Calculated Property |
| Tboil | 529.11 | K | Joback Calculated Property |
| Tc | 738.85 | K | Joback Calculated Property |
| Tfus | 316.33 | K | Joback Calculated Property |
| Vc | 0.564 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.36; 460.20] | J/mol×K | [529.11; 738.85] | 
|
| Cp,gas | 370.36 | J/mol×K | 529.11 | Joback Calculated Property |
| Cp,gas | 387.30 | J/mol×K | 564.07 | Joback Calculated Property |
| Cp,gas | 403.34 | J/mol×K | 599.02 | Joback Calculated Property |
| Cp,gas | 418.57 | J/mol×K | 633.98 | Joback Calculated Property |
| Cp,gas | 433.06 | J/mol×K | 668.94 | Joback Calculated Property |
| Cp,gas | 446.91 | J/mol×K | 703.89 | Joback Calculated Property |
| Cp,gas | 460.20 | J/mol×K | 738.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoic acid, 2,2,4-trimethyl-3-hydroxy-, beta-lactone.
Sources
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