- InChI
- InChI=1S/C13H18O4/c1-13(2,3)9-16-12(14)17-11-7-5-10(15-4)6-8-11/h5-8H,9H2,1-4H3
- InChI Key
- SFIMQWQPJSPVFB-UHFFFAOYSA-N
- Formula
- C13H18O4
- SMILES
- COc1ccc(OC(=O)OCC(C)(C)C)cc1
- Molecular Weight1
- 238.28
- 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° | -279.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -604.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.15 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 3.257 | Crippen Calculated Property | |
| McVol | 189.450 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [1695.00; 1695.00] |
|
|
| Inp | 1695.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Tboil | 646.40 | K | Joback Calculated Property |
| Tc | 857.34 | K | Joback Calculated Property |
| Tfus | 394.25 | K | Joback Calculated Property |
| Vc | 0.705 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.95; 578.71] | J/mol×K | [646.40; 857.34] |
|
| Cp,gas | 498.95 | J/mol×K | 646.40 | Joback Calculated Property |
| Cp,gas | 514.56 | J/mol×K | 681.56 | Joback Calculated Property |
| Cp,gas | 529.23 | J/mol×K | 716.71 | Joback Calculated Property |
| Cp,gas | 542.97 | J/mol×K | 751.87 | Joback Calculated Property |
| Cp,gas | 555.78 | J/mol×K | 787.03 | Joback Calculated Property |
| Cp,gas | 567.69 | J/mol×K | 822.19 | Joback Calculated Property |
| Cp,gas | 578.71 | J/mol×K | 857.34 | Joback Calculated Property |
| η | [0.0000894; 0.0009322] | Pa×s | [394.25; 646.40] |
|
| η | 0.0009322 | Pa×s | 394.25 | Joback Calculated Property |
| η | 0.0005225 | Pa×s | 436.27 | Joback Calculated Property |
| η | 0.0003242 | Pa×s | 478.30 | Joback Calculated Property |
| η | 0.0002173 | Pa×s | 520.33 | Joback Calculated Property |
| η | 0.0001546 | Pa×s | 562.35 | Joback Calculated Property |
| η | 0.0001153 | Pa×s | 604.38 | Joback Calculated Property |
| η | 0.0000894 | Pa×s | 646.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, neopentyl 4-methoxyphenyl ester.
Sources
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