- InChI
- InChI=1S/C11H16O2/c1-7-4-5-8-10(13-6-12)9(7)11(8,2)3/h4,6,8-10H,5H2,1-3H3
- InChI Key
- UUPONGFJZWADRE-UHFFFAOYSA-N
- Formula
- C11H16O2
- SMILES
- CC1=CCC2C(OC=O)C1C2(C)C
- Molecular Weight1
- 180.24
- CAS
- 241123-18-2
- 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° | -53.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.32 | Crippen Calculated Property | |
| logPoct/wat | 2.150 | Crippen Calculated Property | |
| McVol | 147.270 | ml/mol | McGowan Calculated Property |
| Pc | 2679.08 | kPa | Joback Calculated Property |
| Inp | [1177.00; 1190.30] |
|
|
| Inp | 1177.00 | NIST | |
| Inp | 1190.30 | NIST | |
| Inp | 1190.30 | NIST | |
| Inp | 1177.00 | NIST | |
| Tboil | 534.95 | K | Joback Calculated Property |
| Tc | 743.67 | K | Joback Calculated Property |
| Tfus | 339.02 | K | Joback Calculated Property |
| Vc | 0.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.07; 457.74] | J/mol×K | [534.95; 743.67] |
|
| Cp,gas | 372.07 | J/mol×K | 534.95 | Joback Calculated Property |
| Cp,gas | 388.51 | J/mol×K | 569.74 | Joback Calculated Property |
| Cp,gas | 403.93 | J/mol×K | 604.52 | Joback Calculated Property |
| Cp,gas | 418.45 | J/mol×K | 639.31 | Joback Calculated Property |
| Cp,gas | 432.18 | J/mol×K | 674.10 | Joback Calculated Property |
| Cp,gas | 445.24 | J/mol×K | 708.88 | Joback Calculated Property |
| Cp,gas | 457.74 | J/mol×K | 743.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Chrysanthenyl formate.
Sources
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