- InChI
- InChI=1S/C12H22O3/c1-3-5-7-8-9-11-15-12(13)14-10-6-4-2/h4H,2-3,5-11H2,1H3
- InChI Key
- MAINAQRDASKZOW-UHFFFAOYSA-N
- Formula
- C12H22O3
- SMILES
- C=CCCOC(=O)OCCCCCCC
- Molecular Weight1
- 214.30
- 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 | 0.6952 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.686 | Crippen Calculated Property | |
| McVol | 188.950 | ml/mol | McGowan Calculated Property |
| Pc | 1826.28 | kPa | Joback Calculated Property |
| Inp | 1433.00 | NIST | |
| Tboil | 527.06 | K | Relay (1.0) Calculated Property |
| Tc | 676.63 | K | Relay (1.0) Calculated Property |
| Tfus | 213.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.08; 547.04] | J/mol×K | [551.48; 721.10] | 
|
| Cp,gas | 465.08 | J/mol×K | 551.48 | Joback Calculated Property |
| Cp,gas | 480.25 | J/mol×K | 579.75 | Joback Calculated Property |
| Cp,gas | 494.80 | J/mol×K | 608.02 | Joback Calculated Property |
| Cp,gas | 508.76 | J/mol×K | 636.29 | Joback Calculated Property |
| Cp,gas | 522.11 | J/mol×K | 664.56 | Joback Calculated Property |
| Cp,gas | 534.87 | J/mol×K | 692.83 | Joback Calculated Property |
| Cp,gas | 547.04 | J/mol×K | 721.10 | Joback Calculated Property |
| η | [0.0001424; 0.0032734] | Pa×s | [287.80; 551.48] |
|
| η | 0.0032734 | Pa×s | 287.80 | Joback Calculated Property |
| η | 0.0013734 | Pa×s | 331.75 | Joback Calculated Property |
| η | 0.0007060 | Pa×s | 375.69 | Joback Calculated Property |
| η | 0.0004172 | Pa×s | 419.64 | Joback Calculated Property |
| η | 0.0002724 | Pa×s | 463.59 | Joback Calculated Property |
| η | 0.0001915 | Pa×s | 507.53 | Joback Calculated Property |
| η | 0.0001424 | Pa×s | 551.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl heptyl ester.
Sources
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