- InChI
- InChI=1S/C13H18O/c1-2-3-4-9-13-12-8-6-5-7-11(12)10-14-13/h5,7,9H,2-4,6,8,10H2,1H3/b13-9-
- InChI Key
- ZLAFQLXVGWHNRT-LCYFTJDESA-N
- Formula
- C13H18O
- SMILES
- CCCCC=C1OCC2=C1CCC=C2
- Molecular Weight1
- 190.28
- 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).
- 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° | 159.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -107.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.20 | Crippen Calculated Property | |
| logPoct/wat | 3.737 | Crippen Calculated Property | |
| McVol | 165.280 | ml/mol | McGowan Calculated Property |
| Pc | 2492.52 | kPa | Joback Calculated Property |
| Inp | [1767.00; 1767.00] |
|
|
| Inp | 1767.00 | NIST | |
| Inp | 1767.00 | NIST | |
| Tboil | 574.34 | K | Joback Calculated Property |
| Tc | 790.03 | K | Joback Calculated Property |
| Tfus | 333.56 | K | Joback Calculated Property |
| Vc | 0.631 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.20; 498.30] | J/mol×K | [574.34; 790.03] |
|
| Cp,gas | 411.20 | J/mol×K | 574.34 | Joback Calculated Property |
| Cp,gas | 428.16 | J/mol×K | 610.29 | Joback Calculated Property |
| Cp,gas | 444.04 | J/mol×K | 646.24 | Joback Calculated Property |
| Cp,gas | 458.93 | J/mol×K | 682.18 | Joback Calculated Property |
| Cp,gas | 472.88 | J/mol×K | 718.13 | Joback Calculated Property |
| Cp,gas | 485.98 | J/mol×K | 754.08 | Joback Calculated Property |
| Cp,gas | 498.30 | J/mol×K | 790.03 | Joback Calculated Property |
| η | [0.0003408; 0.0021356] | Pa×s | [333.56; 574.34] |
|
| η | 0.0021356 | Pa×s | 333.56 | Joback Calculated Property |
| η | 0.0013346 | Pa×s | 373.69 | Joback Calculated Property |
| η | 0.0009137 | Pa×s | 413.82 | Joback Calculated Property |
| η | 0.0006689 | Pa×s | 453.95 | Joback Calculated Property |
| η | 0.0005151 | Pa×s | 494.08 | Joback Calculated Property |
| η | 0.0004125 | Pa×s | 534.21 | Joback Calculated Property |
| η | 0.0003408 | Pa×s | 574.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3n-valeryl-4,5-dihydrophthalide.
Sources
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