- InChI
- InChI=1S/C13H18O/c1-3-6-10(2)13-12-8-5-4-7-11(12)9-14-13/h4,7H,3,5-6,8-9H2,1-2H3/b13-10-
- InChI Key
- JKOMDTBYVZIMAG-RAXLEYEMSA-N
- Formula
- C13H18O
- SMILES
- CCCC(C)=C1OCC2=C1CCC=C2
- Molecular Weight1
- 190.28
- 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.
- 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 | 0.3888 | Relay (1.0) Calculated Property | |
| ΔfG° | 150.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.737 | Crippen Calculated Property | |
| McVol | 165.280 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | 1702.00 | NIST | |
| Tboil | 525.81 | K | Relay (1.0) Calculated Property |
| Tc | 735.74 | K | Relay (1.0) Calculated Property |
| Tfus | 279.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.98; 499.26] | J/mol×K | [574.22; 793.83] | 
|
| Cp,gas | 410.98 | J/mol×K | 574.22 | Joback Calculated Property |
| Cp,gas | 428.21 | J/mol×K | 610.82 | Joback Calculated Property |
| Cp,gas | 444.33 | J/mol×K | 647.42 | Joback Calculated Property |
| Cp,gas | 459.42 | J/mol×K | 684.03 | Joback Calculated Property |
| Cp,gas | 473.55 | J/mol×K | 720.63 | Joback Calculated Property |
| Cp,gas | 486.80 | J/mol×K | 757.23 | Joback Calculated Property |
| Cp,gas | 499.26 | J/mol×K | 793.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(1'-methylbutylidene)-4,5-dihydrophthalide.
Sources
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