- InChI
- InChI=1S/C13H20O2/c1-5-12(14)15-11-7-13(8(2)3)6-10(13)9(11)4/h8,10-11H,4-7H2,1-3H3
- InChI Key
- KIVPUZGKBYRCCO-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- C=C1C(OC(=O)CC)CC2(C(C)C)CC12
- Molecular Weight1
- 208.30
- CAS
- 5281-00-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.4542 | Relay (1.0) Calculated Property | |
| ΔfG° | -16.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.930 | Crippen Calculated Property | |
| McVol | 175.450 | ml/mol | McGowan Calculated Property |
| Pc | 2222.89 | kPa | Joback Calculated Property |
| Inp | [1379.70; 1379.70] |
|
|
| Inp | 1379.70 | NIST | |
| Inp | 1379.70 | NIST | |
| Tboil | 488.49 | K | Relay (1.0) Calculated Property |
| Tc | 732.90 | K | Relay (1.0) Calculated Property |
| Tfus | 256.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [466.58; 557.39] | J/mol×K | [580.90; 784.27] |
|
| Cp,gas | 466.58 | J/mol×K | 580.90 | Joback Calculated Property |
| Cp,gas | 483.76 | J/mol×K | 614.80 | Joback Calculated Property |
| Cp,gas | 499.96 | J/mol×K | 648.69 | Joback Calculated Property |
| Cp,gas | 515.30 | J/mol×K | 682.59 | Joback Calculated Property |
| Cp,gas | 529.90 | J/mol×K | 716.48 | Joback Calculated Property |
| Cp,gas | 543.89 | J/mol×K | 750.38 | Joback Calculated Property |
| Cp,gas | 557.39 | J/mol×K | 784.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sabinyl propionate.
Sources
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