![(2R,2'S,5R,5'S)-2,5'-Dimethyl-5-(prop-1-en-2-yl)-5'-vinylhexahydro-[2,2'-bifuran]-3(2H)-one](/cid/71-802-2/2R-2S-5R-5S-2-5-Dimethyl-5-prop-1-en-2-yl-5-vinylhexahydro-2-2-bifuran-3-2H-one.png "(2R,2'S,5R,5'S)-2,5'-Dimethyl-5-(prop-1-en-2-yl)-5'-vinylhexahydro-[2,2'-bifuran]-3(2H)-one")
- InChI
- InChI=1S/C15H22O3/c1-6-14(4)8-7-13(18-14)15(5)12(16)9-11(17-15)10(2)3/h6,11,13H,1-2,7-9H2,3-5H3
- InChI Key
- LQWFUFMRXNEVLA-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
-
C=CC1(C)CCC(C2(C)OC(C(=C)C)CC2
=O)O1 - Molecular Weight1
- 250.33
- CAS
- 199115-09-8
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -5.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.59 | kJ/mol | Joback Calculated Property |
| log10WS | -3.50 | Crippen Calculated Property | |
| logPoct/wat | 2.803 | Crippen Calculated Property | |
| McVol | 205.200 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| Inp | [1532.60; 1532.60] |
|
|
| Inp | 1532.60 | NIST | |
| Inp | 1532.60 | NIST | |
| Tboil | 679.26 | K | Joback Calculated Property |
| Tc | 921.44 | K | Joback Calculated Property |
| Tfus | 423.81 | K | Joback Calculated Property |
| Vc | 0.763 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.67; 728.55] | J/mol×K | [679.26; 921.44] |
|
| Cp,gas | 606.67 | J/mol×K | 679.26 | Joback Calculated Property |
| Cp,gas | 628.38 | J/mol×K | 719.62 | Joback Calculated Property |
| Cp,gas | 649.17 | J/mol×K | 759.99 | Joback Calculated Property |
| Cp,gas | 669.31 | J/mol×K | 800.35 | Joback Calculated Property |
| Cp,gas | 689.07 | J/mol×K | 840.72 | Joback Calculated Property |
| Cp,gas | 708.72 | J/mol×K | 881.08 | Joback Calculated Property |
| Cp,gas | 728.55 | J/mol×K | 921.44 | Joback Calculated Property |
Similar Compounds
Sources
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