- InChI
- InChI=1S/C12H16O2/c1-9(2)14-12(13)10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
- InChI Key
- PLBPZACPOTWOJD-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- CC(C)OC(=O)C(C)c1ccccc1
- Molecular Weight1
- 192.25
- 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 | 0.4671 | Relay (1.0) Calculated Property | |
| ΔfG° | -152.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -391.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.742 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Inp | [1763.00; 1763.00] |
|
|
| Inp | 1763.00 | NIST | |
| Inp | 1763.00 | NIST | |
| Tboil | 487.53 | K | Relay (1.0) Calculated Property |
| Tc | 715.65 | K | Relay (1.0) Calculated Property |
| Tfus | 253.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.600 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.56; 473.26] | J/mol×K | [558.18; 770.55] |
|
| Cp,gas | 389.56 | J/mol×K | 558.18 | Joback Calculated Property |
| Cp,gas | 405.90 | J/mol×K | 593.58 | Joback Calculated Property |
| Cp,gas | 421.25 | J/mol×K | 628.97 | Joback Calculated Property |
| Cp,gas | 435.64 | J/mol×K | 664.37 | Joback Calculated Property |
| Cp,gas | 449.08 | J/mol×K | 699.76 | Joback Calculated Property |
| Cp,gas | 461.61 | J/mol×K | 735.16 | Joback Calculated Property |
| Cp,gas | 473.26 | J/mol×K | 770.55 | Joback Calculated Property |
| η | [0.0001483; 0.0071691] | Pa×s | [263.75; 558.18] |
|
| η | 0.0071691 | Pa×s | 263.75 | Joback Calculated Property |
| η | 0.0022625 | Pa×s | 312.82 | Joback Calculated Property |
| η | 0.0009762 | Pa×s | 361.89 | Joback Calculated Property |
| η | 0.0005148 | Pa×s | 410.96 | Joback Calculated Property |
| η | 0.0003112 | Pa×s | 460.04 | Joback Calculated Property |
| η | 0.0002073 | Pa×s | 509.11 | Joback Calculated Property |
| η | 0.0001483 | Pa×s | 558.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydratropic acid, isopropyl ester.
Sources
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