- 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° | -192.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.36 | 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 | 1743.37 | 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 | 686.56 | K | Relay (1.0) Calculated Property |
| Tfus | 219.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.767 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.30; 606.47] | J/mol×K | [592.23; 763.38] |
|
| Cp,gas | 522.30 | J/mol×K | 592.23 | Joback Calculated Property |
| Cp,gas | 537.88 | J/mol×K | 620.75 | Joback Calculated Property |
| Cp,gas | 552.83 | J/mol×K | 649.28 | Joback Calculated Property |
| Cp,gas | 567.16 | J/mol×K | 677.80 | Joback Calculated Property |
| Cp,gas | 580.87 | J/mol×K | 706.33 | Joback Calculated Property |
| Cp,gas | 593.97 | J/mol×K | 734.85 | Joback Calculated Property |
| Cp,gas | 606.47 | J/mol×K | 763.38 | Joback Calculated Property |
| η | [0.0001398; 0.0019778] | Pa×s | [328.90; 592.23] |
|
| η | 0.0019778 | Pa×s | 328.90 | Joback Calculated Property |
| η | 0.0009807 | Pa×s | 372.79 | Joback Calculated Property |
| η | 0.0005637 | Pa×s | 416.68 | Joback Calculated Property |
| η | 0.0003601 | Pa×s | 460.56 | Joback Calculated Property |
| η | 0.0002487 | Pa×s | 504.45 | Joback Calculated Property |
| η | 0.0001822 | Pa×s | 548.34 | Joback Calculated Property |
| η | 0.0001398 | Pa×s | 592.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl octyl ester.
Sources
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