- InChI
- InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3
- InChI Key
- RMOUBSOVHSONPZ-UHFFFAOYSA-N
- Formula
- C4H8O2
- SMILES
- CC(C)OC=O
- Molecular Weight1
- 88.11
- CAS
- 625-55-8
- Other Names
-
- Formic acid, 2-propyl ester
- Formic acid, isopropyl ester
- HCOOCH(CH3)2
- Isopropyl formate
- Methylethyl formate
- UN 1281
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| PAff | 811.30 | kJ/mol | NIST |
| BasG | 780.30 | kJ/mol | NIST |
| ΔfG° | -224.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.24 | kJ/mol | Joback Calculated Property |
| IE | [10.44; 10.44] | eV |
|
| IE | 10.44 ± 0.05 | eV | NIST |
| IE | 10.44 | eV | NIST |
| log10WS | [-0.63; -0.63] |
|
|
| log10WS | -0.63 | Aq. Sol... | |
| log10WS | -0.63 | Estimat... | |
| logPoct/wat | 0.568 | Crippen Calculated Property | |
| McVol | 74.660 | ml/mol | McGowan Calculated Property |
| Pc | 4233.04 | kPa | Joback Calculated Property |
| Inp | [516.00; 573.00] |
|
|
| Inp | 518.00 | NIST | |
| Inp | 527.00 | NIST | |
| Inp | 529.00 | NIST | |
| Inp | 532.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 516.00 | NIST | |
| Inp | 528.00 | NIST | |
| Inp | 525.00 | NIST | |
| Inp | 532.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 573.00 | NIST | |
| Inp | 562.00 | NIST | |
| Inp | 559.00 | NIST | |
| Inp | 559.00 | NIST | |
| Inp | 567.00 | NIST | |
| Inp | 567.00 | NIST | |
| Inp | 518.00 | NIST | |
| Inp | 516.00 | NIST | |
| I | [838.00; 883.00] |
|
|
| I | 838.00 | NIST | |
| I | 840.00 | NIST | |
| I | 838.00 | NIST | |
| I | 851.00 | NIST | |
| I | Outlier 883.00 | NIST | |
| I | 838.00 | NIST | |
| Tboil | [341.40; 342.00] | K |
|
| Tboil | 341.40 | K | NIST |
| Tboil | 342.00 ± 0.40 | K | NIST |
| Tc | 539.67 | K | Joback Calculated Property |
| Tfus | 186.65 | K | Aq. Sol... |
| Vc | 0.288 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.99; 170.62] | J/mol×K | [361.56; 539.67] |
|
| Cp,gas | 131.99 | J/mol×K | 361.56 | Joback Calculated Property |
| Cp,gas | 138.90 | J/mol×K | 391.25 | Joback Calculated Property |
| Cp,gas | 145.62 | J/mol×K | 420.93 | Joback Calculated Property |
| Cp,gas | 152.16 | J/mol×K | 450.62 | Joback Calculated Property |
| Cp,gas | 158.51 | J/mol×K | 480.30 | Joback Calculated Property |
| Cp,gas | 164.66 | J/mol×K | 509.99 | Joback Calculated Property |
| Cp,gas | 170.62 | J/mol×K | 539.67 | Joback Calculated Property |
| η | [0.0002752; 0.0044029] | Pa×s | [184.07; 361.56] |
|
| η | 0.0044029 | Pa×s | 184.07 | Joback Calculated Property |
| η | 0.0020143 | Pa×s | 213.65 | Joback Calculated Property |
| η | 0.0011146 | Pa×s | 243.23 | Joback Calculated Property |
| η | 0.0007012 | Pa×s | 272.81 | Joback Calculated Property |
| η | 0.0004830 | Pa×s | 302.40 | Joback Calculated Property |
| η | 0.0003555 | Pa×s | 331.98 | Joback Calculated Property |
| η | 0.0002752 | Pa×s | 361.56 | Joback Calculated Property |
| ΔvapH | 34.50 | kJ/mol | 281.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [255.80; 363.30] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37050e+01 | |||
| Coefficient B | -2.40986e+03 | |||
| Coefficient C | -7.61910e+01 | |||
| Temperature range, min. | 255.80 | |||
| Temperature range, max. | 363.30 | |||
| Pvap | 1.33 | kPa | 255.80 | Calculated Property |
| Pvap | 3.08 | kPa | 267.74 | Calculated Property |
| Pvap | 6.44 | kPa | 279.69 | Calculated Property |
| Pvap | 12.42 | kPa | 291.63 | Calculated Property |
| Pvap | 22.35 | kPa | 303.58 | Calculated Property |
| Pvap | 37.93 | kPa | 315.52 | Calculated Property |
| Pvap | 61.22 | kPa | 327.47 | Calculated Property |
| Pvap | 94.60 | kPa | 339.41 | Calculated Property |
| Pvap | 140.76 | kPa | 351.36 | Calculated Property |
| Pvap | 202.64 | kPa | 363.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 1-methylethyl ester.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.