- InChI
- InChI=1S/C15H26O2/c1-10(2)12-8-7-11(3)6-5-9-15(4)14(17-15)13(12)16/h6,10,12-14,16H,5,7-9H2,1-4H3/b11-6-/t12-,13+,14+,15-/m1/s1
- InChI Key
- KLQPHHIQARFSDE-NCMQTQOKSA-N
- Formula
- C15H26O2
- SMILES
- CC1=CCCC2(C)OC2C(O)C(C(C)C)CC1
- Molecular Weight1
- 238.37
- CAS
- 28892-14-0
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -89.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.66 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.297 | Crippen Calculated Property | |
| McVol | 207.930 | ml/mol | McGowan Calculated Property |
| Pc | 2100.34 | kPa | Joback Calculated Property |
| Inp | 1810.00 | NIST | |
| Tboil | 691.16 | K | Joback Calculated Property |
| Tc | 900.77 | K | Joback Calculated Property |
| Tfus | 378.18 | K | Joback Calculated Property |
| Vc | 0.765 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.64; 742.83] | J/mol×K | [691.16; 900.77] | 
|
| Cp,gas | 635.64 | J/mol×K | 691.16 | Joback Calculated Property |
| Cp,gas | 655.63 | J/mol×K | 726.09 | Joback Calculated Property |
| Cp,gas | 674.61 | J/mol×K | 761.03 | Joback Calculated Property |
| Cp,gas | 692.71 | J/mol×K | 795.96 | Joback Calculated Property |
| Cp,gas | 710.04 | J/mol×K | 830.90 | Joback Calculated Property |
| Cp,gas | 726.71 | J/mol×K | 865.83 | Joback Calculated Property |
| Cp,gas | 742.83 | J/mol×K | 900.77 | Joback Calculated Property |
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Sources
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