- InChI
- InChI=1S/C16H26O2/c1-11-8-16(5,10-18-12(2)17)7-6-14-13(11)9-15(14,3)4/h13-14H,1,6-10H2,2-5H3/t13-,14-,16+/m0/s1
- InChI Key
- DQIYNENWJHGCCR-OFQRWUPVSA-N
- Formula
- C16H26O2
- SMILES
-
C=C1CC(C)(COC(C)=O)CCC2C1CC2(C
)C - Molecular Weight1
- 250.38
- 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).
- I : 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 | 0.4687 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.958 | Crippen Calculated Property | |
| McVol | 217.720 | ml/mol | McGowan Calculated Property |
| Pc | 1841.99 | kPa | Joback Calculated Property |
| I | [2009.00; 2009.00] |
|
|
| I | 2009.00 | NIST | |
| I | 2009.00 | NIST | |
| I | 2009.00 | NIST | |
| Tboil | 568.28 | K | Relay (1.0) Calculated Property |
| Tc | 777.67 | K | Relay (1.0) Calculated Property |
| Tfus | 331.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.765 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [629.36; 746.50] | J/mol×K | [658.36; 875.14] |
|
| Cp,gas | 629.36 | J/mol×K | 658.36 | Joback Calculated Property |
| Cp,gas | 650.47 | J/mol×K | 694.49 | Joback Calculated Property |
| Cp,gas | 670.67 | J/mol×K | 730.62 | Joback Calculated Property |
| Cp,gas | 690.16 | J/mol×K | 766.75 | Joback Calculated Property |
| Cp,gas | 709.16 | J/mol×K | 802.88 | Joback Calculated Property |
| Cp,gas | 727.87 | J/mol×K | 839.01 | Joback Calculated Property |
| Cp,gas | 746.50 | J/mol×K | 875.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Birkenyl acetate.
Sources
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