- InChI
- InChI=1S/C10H18O3/c1-6(11)13-8-9(2,3)7(12)10(8,4)5/h7-8,12H,1-5H3
- InChI Key
- VPAHAVKFSSDLPN-UHFFFAOYSA-N
- Formula
- C10H18O3
- SMILES
- CC(=O)OC1C(C)(C)C(O)C1(C)C
- Molecular Weight1
- 186.25
- CAS
- 116373-49-0
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5399 | Relay (... Calculated Property | |
| ΔfG° | -322.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.63 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.60 | kJ/mol | Relay (... Calculated Property |
| IE | 9.45 | eV | Relay (... Calculated Property |
| log10WS | -1.52 | Relay (... Calculated Property | |
| logPoct/wat | 1.345 | Crippen Calculated Property | |
| McVol | 154.210 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Tboil | 481.83 | K | Relay (... Calculated Property |
| Tc | 707.02 | K | Relay (... Calculated Property |
| Tfus | 336.11 | K | Relay (... Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.57; 492.68] | J/mol×K | [594.15; 787.83] | 
|
| Cp,gas | 416.57 | J/mol×K | 594.15 | Joback Calculated Property |
| Cp,gas | 430.40 | J/mol×K | 626.43 | Joback Calculated Property |
| Cp,gas | 443.60 | J/mol×K | 658.71 | Joback Calculated Property |
| Cp,gas | 456.30 | J/mol×K | 690.99 | Joback Calculated Property |
| Cp,gas | 468.63 | J/mol×K | 723.27 | Joback Calculated Property |
| Cp,gas | 480.71 | J/mol×K | 755.55 | Joback Calculated Property |
| Cp,gas | 492.68 | J/mol×K | 787.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monoacetate.
Sources
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