- InChI
- InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3
- InChI Key
- UASZOTVHPVEMQR-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- CC(=O)OC1C2CC=C(C)C1C2(C)C
- Molecular Weight1
- 194.27
- CAS
- 67999-48-8
- Other Names
-
- (Z)-Chrysanthenyl acetate
- Chrysanthenyl acetate (cis)
- cis-Crysanthenyl acetate
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -74.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.64 | kJ/mol | Joback Calculated Property |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 2.540 | Crippen Calculated Property | |
| McVol | 161.360 | ml/mol | McGowan Calculated Property |
| Pc | 2405.28 | kPa | Joback Calculated Property |
| Inp | [1223.00; 1267.00] |
|
|
| Inp | 1251.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1264.30 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | Outlier 1230.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | Outlier 1230.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | Outlier 1223.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1264.30 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1266.00 | NIST | |
| I | [1533.00; 1590.00] |
|
|
| I | 1546.00 | NIST | |
| I | 1562.00 | NIST | |
| I | 1544.00 | NIST | |
| I | 1533.00 | NIST | |
| I | 1540.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1566.00 | NIST | |
| I | 1569.00 | NIST | |
| I | 1582.00 | NIST | |
| I | 1582.00 | NIST | |
| I | 1582.00 | NIST | |
| I | 1538.00 | NIST | |
| I | 1590.00 | NIST | |
| I | 1544.00 | NIST | |
| I | 1569.00 | NIST | |
| Tboil | 563.04 | K | Joback Calculated Property |
| Tc | 773.40 | K | Joback Calculated Property |
| Tfus | 358.22 | K | Joback Calculated Property |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.92; 511.43] | J/mol×K | [563.04; 773.40] |
|
| Cp,gas | 419.92 | J/mol×K | 563.04 | Joback Calculated Property |
| Cp,gas | 437.32 | J/mol×K | 598.10 | Joback Calculated Property |
| Cp,gas | 453.71 | J/mol×K | 633.16 | Joback Calculated Property |
| Cp,gas | 469.20 | J/mol×K | 668.22 | Joback Calculated Property |
| Cp,gas | 483.90 | J/mol×K | 703.28 | Joback Calculated Property |
| Cp,gas | 497.94 | J/mol×K | 738.34 | Joback Calculated Property |
| Cp,gas | 511.43 | J/mol×K | 773.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Chrysanthenyl acetate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.