- InChI
- InChI=1S/C14H22O2/c1-8(2)13(15)16-12-7-14(9(3)4)6-11(14)10(12)5/h8-9,11-12H,5-7H2,1-4H3
- InChI Key
- CPSOCOUVTGYNEQ-UHFFFAOYSA-N
- Formula
- C14H22O2
- SMILES
-
C=C1C(OC(=O)C(C)C)CC2(C(C)C)CC
12 - Molecular Weight1
- 222.32
- CAS
- 5281-01-6
- 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 | 0.4646 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.176 | Crippen Calculated Property | |
| McVol | 189.540 | ml/mol | McGowan Calculated Property |
| Pc | 2049.31 | kPa | Joback Calculated Property |
| Inp | [1414.00; 1414.00] |
|
|
| Inp | 1414.00 | NIST | |
| Inp | 1414.00 | NIST | |
| Tboil | 489.26 | K | Relay (1.0) Calculated Property |
| Tc | 737.88 | K | Relay (1.0) Calculated Property |
| Tfus | 264.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.663 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.90; 613.86] | J/mol×K | [603.34; 807.74] |
|
| Cp,gas | 517.90 | J/mol×K | 603.34 | Joback Calculated Property |
| Cp,gas | 535.95 | J/mol×K | 637.41 | Joback Calculated Property |
| Cp,gas | 553.01 | J/mol×K | 671.47 | Joback Calculated Property |
| Cp,gas | 569.20 | J/mol×K | 705.54 | Joback Calculated Property |
| Cp,gas | 584.66 | J/mol×K | 739.60 | Joback Calculated Property |
| Cp,gas | 599.50 | J/mol×K | 773.67 | Joback Calculated Property |
| Cp,gas | 613.86 | J/mol×K | 807.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sabinyl isobutanoate.
Sources
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