- InChI
- InChI=1S/C13H24O3/c1-3-5-7-8-9-10-12-16-13(14)15-11-6-4-2/h4H,2-3,5-12H2,1H3
- InChI Key
- VLBCFEVGRUTYNX-UHFFFAOYSA-N
- Formula
- C13H24O3
- SMILES
- C=CCCOC(=O)OCCCCCCCC
- Molecular Weight1
- 228.33
- 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 | 0.7321 | Relay (1.0) Calculated Property | |
| ΔfG° | -268.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.076 | Crippen Calculated Property | |
| McVol | 203.040 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Inp | [1533.00; 1533.00] |
|
|
| Inp | 1533.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Tboil | 543.45 | K | Relay (1.0) Calculated Property |
| Tc | 690.88 | K | Relay (1.0) Calculated Property |
| Tfus | 220.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.770 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.36; 600.58] | J/mol×K | [574.36; 742.99] |
|
| Cp,gas | 515.36 | J/mol×K | 574.36 | Joback Calculated Property |
| Cp,gas | 531.17 | J/mol×K | 602.46 | Joback Calculated Property |
| Cp,gas | 546.33 | J/mol×K | 630.57 | Joback Calculated Property |
| Cp,gas | 560.84 | J/mol×K | 658.67 | Joback Calculated Property |
| Cp,gas | 574.72 | J/mol×K | 686.78 | Joback Calculated Property |
| Cp,gas | 587.96 | J/mol×K | 714.88 | Joback Calculated Property |
| Cp,gas | 600.58 | J/mol×K | 742.99 | Joback Calculated Property |
| η | [0.0001278; 0.0030587] | Pa×s | [299.07; 574.36] |
|
| η | 0.0030587 | Pa×s | 299.07 | Joback Calculated Property |
| η | 0.0012673 | Pa×s | 344.95 | Joback Calculated Property |
| η | 0.0006457 | Pa×s | 390.83 | Joback Calculated Property |
| η | 0.0003791 | Pa×s | 436.71 | Joback Calculated Property |
| η | 0.0002463 | Pa×s | 482.60 | Joback Calculated Property |
| η | 0.0001725 | Pa×s | 528.48 | Joback Calculated Property |
| η | 0.0001278 | Pa×s | 574.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl octyl ester.
Sources
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