- InChI
- InChI=1S/C14H24O4/c1-10(2)6-7-14(18-13(5)16)11(3)8-9-17-12(4)15/h6,11,14H,7-9H2,1-5H3/t11-,14?/m1/s1
- InChI Key
- CPDUBARFGALRAR-YNODCEANSA-N
- Formula
- C14H24O4
- SMILES
-
CC(=O)OCCC(C)C(CC=C(C)C)OC(C)=
O - Molecular Weight1
- 256.34
- 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° | -334.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -725.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.13 | Crippen Calculated Property | |
| logPoct/wat | 2.864 | Crippen Calculated Property | |
| McVol | 218.700 | ml/mol | McGowan Calculated Property |
| Pc | 1740.46 | kPa | Joback Calculated Property |
| Inp | [1666.00; 1666.00] |
|
|
| Inp | 1666.00 | NIST | |
| Inp | 1666.00 | NIST | |
| Tboil | 675.46 | K | Joback Calculated Property |
| Tc | 864.48 | K | Joback Calculated Property |
| Tfus | 342.82 | K | Joback Calculated Property |
| Vc | 0.837 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.77; 683.90] | J/mol×K | [675.46; 864.48] |
|
| Cp,gas | 600.77 | J/mol×K | 675.46 | Joback Calculated Property |
| Cp,gas | 616.61 | J/mol×K | 706.96 | Joback Calculated Property |
| Cp,gas | 631.64 | J/mol×K | 738.47 | Joback Calculated Property |
| Cp,gas | 645.87 | J/mol×K | 769.97 | Joback Calculated Property |
| Cp,gas | 659.31 | J/mol×K | 801.47 | Joback Calculated Property |
| Cp,gas | 671.98 | J/mol×K | 832.98 | Joback Calculated Property |
| Cp,gas | 683.90 | J/mol×K | 864.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxycitronellyl acetate.
Sources
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