- InChI
- InChI=1S/C11H20O3/c1-4-5-8-13-11(12)14-9-6-7-10(2)3/h4,10H,1,5-9H2,2-3H3
- InChI Key
- UTKGOJDYDMHHCA-UHFFFAOYSA-N
- Formula
- C11H20O3
- SMILES
- C=CCCOC(=O)OCCCC(C)C
- Molecular Weight1
- 200.27
- 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 | 0.6185 | Relay (1.0) Calculated Property | |
| ΔfG° | -211.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.152 | Crippen Calculated Property | |
| McVol | 174.860 | ml/mol | McGowan Calculated Property |
| Pc | 2075.54 | kPa | Joback Calculated Property |
| Inp | [1302.00; 1302.00] |
|
|
| Inp | 1302.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Tboil | 501.93 | K | Relay (1.0) Calculated Property |
| Tc | 646.72 | K | Relay (1.0) Calculated Property |
| Tfus | 200.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.637 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.86; 501.56] | J/mol×K | [546.03; 722.74] |
|
| Cp,gas | 422.86 | J/mol×K | 546.03 | Joback Calculated Property |
| Cp,gas | 437.39 | J/mol×K | 575.48 | Joback Calculated Property |
| Cp,gas | 451.36 | J/mol×K | 604.93 | Joback Calculated Property |
| Cp,gas | 464.75 | J/mol×K | 634.38 | Joback Calculated Property |
| Cp,gas | 477.59 | J/mol×K | 663.84 | Joback Calculated Property |
| Cp,gas | 489.86 | J/mol×K | 693.29 | Joback Calculated Property |
| Cp,gas | 501.56 | J/mol×K | 722.74 | Joback Calculated Property |
| η | [0.0001604; 0.0029039] | Pa×s | [291.36; 546.03] |
|
| η | 0.0029039 | Pa×s | 291.36 | Joback Calculated Property |
| η | 0.0013185 | Pa×s | 333.81 | Joback Calculated Property |
| η | 0.0007154 | Pa×s | 376.25 | Joback Calculated Property |
| η | 0.0004394 | Pa×s | 418.69 | Joback Calculated Property |
| η | 0.0002952 | Pa×s | 461.14 | Joback Calculated Property |
| η | 0.0002121 | Pa×s | 503.58 | Joback Calculated Property |
| η | 0.0001604 | Pa×s | 546.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl isohexyl ester.
Sources
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