- InChI
- InChI=1S/C10H14O2/c1-3-5-8(2)12-10(11)9-6-4-7-9/h8-9H,4,6-7H2,1-2H3
- InChI Key
- MRQLUWIUYAYLSZ-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- CC#CC(C)OC(=O)C1CCC1
- Molecular Weight1
- 166.22
- 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 | 0.3822 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.742 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 3055.79 | kPa | Joback Calculated Property |
| Tboil | 453.17 | K | Relay (1.0) Calculated Property |
| Tc | 697.34 | K | Relay (1.0) Calculated Property |
| Tfus | 293.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.494 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.55; 402.08] | J/mol×K | [524.06; 745.14] | 
|
| Cp,gas | 320.55 | J/mol×K | 524.06 | Joback Calculated Property |
| Cp,gas | 336.22 | J/mol×K | 560.91 | Joback Calculated Property |
| Cp,gas | 351.03 | J/mol×K | 597.75 | Joback Calculated Property |
| Cp,gas | 364.99 | J/mol×K | 634.60 | Joback Calculated Property |
| Cp,gas | 378.13 | J/mol×K | 671.45 | Joback Calculated Property |
| Cp,gas | 390.49 | J/mol×K | 708.29 | Joback Calculated Property |
| Cp,gas | 402.08 | J/mol×K | 745.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic acid, but-3-yn-2-yl ester.
Sources
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