- InChI
- InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3
- InChI Key
- RUPAXCPQAAOIPB-UHFFFAOYSA-N
- Formula
- C5H10O2
- SMILES
- CC(C)(C)OC=O
- Molecular Weight1
- 102.13
- CAS
- 762-75-4
- Other Names
-
- Formic acid, tert-butyl ester
- tert-Butyl Formate
- 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).
- ΔfH°liquid : Liquid phase 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).
- Pvap : Vapor 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° | -210.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.80 ± 5.40 | kJ/mol | NIST |
| ΔfH°liquid | -493.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 4.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [36.20; 36.30] | kJ/mol |
|
| ΔvapH° | 36.30 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 36.20 | kJ/mol | NIST |
| log10WS | -0.89 | Crippen Calculated Property | |
| logPoct/wat | 0.958 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Inp | [585.00; 589.00] |
|
|
| Inp | 589.00 | NIST | |
| Inp | 585.00 | NIST | |
| Inp | 589.00 | NIST | |
| Tboil | [355.70; 356.15] | K |
|
| Tboil | 355.70 | K | NIST |
| Tboil | 356.15 ± 1.00 | K | NIST |
| Tboil | 356.00 ± 1.50 | K | NIST |
| Tc | 566.82 | K | Joback Calculated Property |
| Tfus | 212.76 | K | Joback Calculated Property |
| Vc | 0.340 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.22; 217.73] | J/mol×K | [381.65; 566.82] |
|
| Cp,gas | 167.22 | J/mol×K | 381.65 | Joback Calculated Property |
| Cp,gas | 176.66 | J/mol×K | 412.51 | Joback Calculated Property |
| Cp,gas | 185.68 | J/mol×K | 443.37 | Joback Calculated Property |
| Cp,gas | 194.29 | J/mol×K | 474.24 | Joback Calculated Property |
| Cp,gas | 202.49 | J/mol×K | 505.10 | Joback Calculated Property |
| Cp,gas | 210.30 | J/mol×K | 535.96 | Joback Calculated Property |
| Cp,gas | 217.73 | J/mol×K | 566.82 | Joback Calculated Property |
| η | [0.0003279; 0.0052844] | Pa×s | [212.76; 381.65] |
|
| η | 0.0052844 | Pa×s | 212.76 | Joback Calculated Property |
| η | 0.0025365 | Pa×s | 240.91 | Joback Calculated Property |
| η | 0.0014196 | Pa×s | 269.06 | Joback Calculated Property |
| η | 0.0008869 | Pa×s | 297.20 | Joback Calculated Property |
| η | 0.0006010 | Pa×s | 325.35 | Joback Calculated Property |
| η | 0.0004333 | Pa×s | 353.50 | Joback Calculated Property |
| η | 0.0003279 | Pa×s | 381.65 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [266.86; 378.59] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.35549e+01 | |||
| Coefficient B | -2.43235e+03 | |||
| Coefficient C | -8.35210e+01 | |||
| Temperature range, min. | 266.86 | |||
| Temperature range, max. | 378.59 | |||
| Pvap | 1.33 | kPa | 266.86 | Calculated Property |
| Pvap | 3.09 | kPa | 279.27 | Calculated Property |
| Pvap | 6.49 | kPa | 291.69 | Calculated Property |
| Pvap | 12.53 | kPa | 304.10 | Calculated Property |
| Pvap | 22.54 | kPa | 316.52 | Calculated Property |
| Pvap | 38.23 | kPa | 328.93 | Calculated Property |
| Pvap | 61.61 | kPa | 341.35 | Calculated Property |
| Pvap | 95.03 | kPa | 353.76 | Calculated Property |
| Pvap | 141.11 | kPa | 366.18 | Calculated Property |
| Pvap | 202.67 | kPa | 378.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 1,1-dimethylethyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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