- InChI
- InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12-/m0/s1
- InChI Key
- UJNOLBSYLSYIBM-BEZGRXCVSA-N
- Formula
- C13H24O3
- SMILES
- CC1CCC(C(C)C)C(OC(=O)C(C)O)C1
- Molecular Weight1
- 228.33
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -308.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -705.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.371 | Crippen Calculated Property | |
| McVol | 196.480 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback Calculated Property |
| Inp | 1473.00 | NIST | |
| Tboil | 674.64 | K | Joback Calculated Property |
| Tc | 867.50 | K | Joback Calculated Property |
| Tfus | 338.15 | K | Joback Calculated Property |
| Vc | 0.726 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [581.51; 672.66] | J/mol×K | [674.64; 867.50] | 
|
| Cp,gas | 581.51 | J/mol×K | 674.64 | Joback Calculated Property |
| Cp,gas | 599.12 | J/mol×K | 706.78 | Joback Calculated Property |
| Cp,gas | 615.74 | J/mol×K | 738.93 | Joback Calculated Property |
| Cp,gas | 631.40 | J/mol×K | 771.07 | Joback Calculated Property |
| Cp,gas | 646.10 | J/mol×K | 803.21 | Joback Calculated Property |
| Cp,gas | 659.85 | J/mol×K | 835.36 | Joback Calculated Property |
| Cp,gas | 672.66 | J/mol×K | 867.50 | Joback Calculated Property |
| η | [0.0000568; 0.0076841] | Pa×s | [338.15; 674.64] |
|
| η | 0.0076841 | Pa×s | 338.15 | Joback Calculated Property |
| η | 0.0018956 | Pa×s | 394.23 | Joback Calculated Property |
| η | 0.0006627 | Pa×s | 450.31 | Joback Calculated Property |
| η | 0.0002924 | Pa×s | 506.39 | Joback Calculated Property |
| η | 0.0001519 | Pa×s | 562.48 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 618.56 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 674.64 | Joback Calculated Property |
Similar Compounds
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Sources
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