- InChI
- InChI=1S/C13H26O2/c1-5-12(4)13(14)15-10-8-6-7-9-11(2)3/h11-12H,5-10H2,1-4H3
- InChI Key
- YNYPOSLGRAFYEW-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CCC(C)C(=O)OCCCCCC(C)C
- Molecular Weight1
- 214.34
- CAS
- 117421-31-5
- ω : Acentric Factor.
- 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).
- 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 | 0.6512 | Relay (1.0) Calculated Property | |
| ΔfG° | -256.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -658.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.792 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1672.79 | kPa | Joback Calculated Property |
| Inp | [1397.70; 1397.70] |
|
|
| Inp | 1397.70 | NIST | |
| Inp | 1397.70 | NIST | |
| Tboil | 495.74 | K | Relay (1.0) Calculated Property |
| Tc | 686.93 | K | Relay (1.0) Calculated Property |
| Tfus | 219.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.758 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.71; 600.53] | J/mol×K | [554.38; 726.51] |
|
| Cp,gas | 507.71 | J/mol×K | 554.38 | Joback Calculated Property |
| Cp,gas | 524.97 | J/mol×K | 583.07 | Joback Calculated Property |
| Cp,gas | 541.50 | J/mol×K | 611.76 | Joback Calculated Property |
| Cp,gas | 557.31 | J/mol×K | 640.44 | Joback Calculated Property |
| Cp,gas | 572.41 | J/mol×K | 669.13 | Joback Calculated Property |
| Cp,gas | 586.81 | J/mol×K | 697.82 | Joback Calculated Property |
| Cp,gas | 600.53 | J/mol×K | 726.51 | Joback Calculated Property |
| η | [0.0001379; 0.0116573] | Pa×s | [248.60; 554.38] |
|
| η | 0.0116573 | Pa×s | 248.60 | Joback Calculated Property |
| η | 0.0029664 | Pa×s | 299.56 | Joback Calculated Property |
| η | 0.0011238 | Pa×s | 350.53 | Joback Calculated Property |
| η | 0.0005447 | Pa×s | 401.49 | Joback Calculated Property |
| η | 0.0003108 | Pa×s | 452.45 | Joback Calculated Property |
| η | 0.0001987 | Pa×s | 503.42 | Joback Calculated Property |
| η | 0.0001379 | Pa×s | 554.38 | Joback Calculated Property |
Similar Compounds
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