- InChI
- InChI=1S/C13H20O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10,13-14H,2-4,8,11H2,1H3
- InChI Key
- UAJVCELPUNHGKE-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- CCCCCCC(O)c1ccccc1
- Molecular Weight1
- 192.30
- CAS
- 614-54-0
- 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).
- 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° | 31.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -232.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.690 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2414.74 | kPa | Joback Calculated Property |
| Tboil | 615.26 | K | Joback Calculated Property |
| Tc | 804.50 | K | Joback Calculated Property |
| Tfus | 308.51 | K | Joback Calculated Property |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.28; 534.62] | J/mol×K | [615.26; 804.50] | 
|
| Cp,gas | 457.28 | J/mol×K | 615.26 | Joback Calculated Property |
| Cp,gas | 472.05 | J/mol×K | 646.80 | Joback Calculated Property |
| Cp,gas | 486.03 | J/mol×K | 678.34 | Joback Calculated Property |
| Cp,gas | 499.25 | J/mol×K | 709.88 | Joback Calculated Property |
| Cp,gas | 511.72 | J/mol×K | 741.42 | Joback Calculated Property |
| Cp,gas | 523.50 | J/mol×K | 772.96 | Joback Calculated Property |
| Cp,gas | 534.62 | J/mol×K | 804.50 | Joback Calculated Property |
| η | [0.0000601; 0.0129561] | Pa×s | [308.51; 615.26] |
|
| η | 0.0129561 | Pa×s | 308.51 | Joback Calculated Property |
| η | 0.0027991 | Pa×s | 359.63 | Joback Calculated Property |
| η | 0.0008855 | Pa×s | 410.76 | Joback Calculated Property |
| η | 0.0003614 | Pa×s | 461.88 | Joback Calculated Property |
| η | 0.0001764 | Pa×s | 513.01 | Joback Calculated Property |
| η | 0.0000980 | Pa×s | 564.13 | Joback Calculated Property |
| η | 0.0000601 | Pa×s | 615.26 | Joback Calculated Property |
Similar Compounds
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Sources
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