- InChI
- InChI=1S/C9H16O3/c1-4-6-11-9(10)12-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3
- InChI Key
- VQDIHNYHANVRTM-UHFFFAOYSA-N
- Formula
- C9H16O3
- SMILES
- C=CCOC(=O)OCC(C)CC
- Molecular Weight1
- 172.22
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5348 | Relay (... Calculated Property | |
| ΔfG° | -228.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -615.58 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.19 | kJ/mol | Relay (... Calculated Property |
| IE | 9.93 | eV | Relay (... Calculated Property |
| log10WS | -2.43 | Relay (... Calculated Property | |
| logPoct/wat | 2.372 | Crippen Calculated Property | |
| McVol | 146.680 | ml/mol | McGowan Calculated Property |
| Pc | 2492.52 | kPa | Joback Calculated Property |
| Inp | [1133.00; 1133.00] |
|
|
| Inp | 1133.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Tboil | 468.32 | K | Relay (... Calculated Property |
| Tc | 618.01 | K | Relay (... Calculated Property |
| Tfus | 195.05 | K | Relay (... Calculated Property |
| Vc | 0.521 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.15; 399.94] | J/mol×K | [500.27; 680.31] |
|
| Cp,gas | 330.15 | J/mol×K | 500.27 | Joback Calculated Property |
| Cp,gas | 342.96 | J/mol×K | 530.28 | Joback Calculated Property |
| Cp,gas | 355.30 | J/mol×K | 560.28 | Joback Calculated Property |
| Cp,gas | 367.16 | J/mol×K | 590.29 | Joback Calculated Property |
| Cp,gas | 378.56 | J/mol×K | 620.30 | Joback Calculated Property |
| Cp,gas | 389.49 | J/mol×K | 650.31 | Joback Calculated Property |
| Cp,gas | 399.94 | J/mol×K | 680.31 | Joback Calculated Property |
| η | [0.0001908; 0.0031058] | Pa×s | [268.82; 500.27] |
|
| η | 0.0031058 | Pa×s | 268.82 | Joback Calculated Property |
| η | 0.0014573 | Pa×s | 307.40 | Joback Calculated Property |
| η | 0.0008095 | Pa×s | 345.97 | Joback Calculated Property |
| η | 0.0005060 | Pa×s | 384.55 | Joback Calculated Property |
| η | 0.0003445 | Pa×s | 423.12 | Joback Calculated Property |
| η | 0.0002502 | Pa×s | 461.69 | Joback Calculated Property |
| η | 0.0001908 | Pa×s | 500.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, allyl 2-methylbutyl ester.
Sources
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