- InChI
- InChI=1S/C14H22O/c1-12(2)11-6-9-13(3)7-4-5-8-14(13,10-11)15-12/h5,8,11H,4,6-7,9-10H2,1-3H3/t11-,13?,14-/m0/s1
- InChI Key
- IEZDOTGOEOFYHV-UFPXDFCQSA-N
- Formula
- C14H22O
- SMILES
- CC1(C)OC23C=CCCC2(C)CCC1C3
- Molecular Weight1
- 206.32
- 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° | 132.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.05 | Crippen Calculated Property | |
| logPoct/wat | 3.690 | Crippen Calculated Property | |
| McVol | 177.110 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Inp | [1474.00; 1516.00] |
|
|
| Inp | 1516.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Tboil | 574.91 | K | Joback Calculated Property |
| Tc | 819.25 | K | Joback Calculated Property |
| Tfus | 385.59 | K | Joback Calculated Property |
| Vc | 0.666 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.55; 603.59] | J/mol×K | [574.91; 819.25] |
|
| Cp,gas | 485.55 | J/mol×K | 574.91 | Joback Calculated Property |
| Cp,gas | 507.82 | J/mol×K | 615.63 | Joback Calculated Property |
| Cp,gas | 528.39 | J/mol×K | 656.36 | Joback Calculated Property |
| Cp,gas | 547.76 | J/mol×K | 697.08 | Joback Calculated Property |
| Cp,gas | 566.42 | J/mol×K | 737.80 | Joback Calculated Property |
| Cp,gas | 584.86 | J/mol×K | 778.53 | Joback Calculated Property |
| Cp,gas | 603.59 | J/mol×K | 819.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Agarofuran.
Sources
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