- InChI
- InChI=1S/C8H14O2/c1-7-2-4-8(5-3-7)10-6-9/h6-8H,2-5H2,1H3
- InChI Key
- DZRDTGDYROJVPD-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CC1CCC(OC=O)CC1
- Molecular Weight1
- 142.20
- 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 | 0.3957 | Relay (1.0) Calculated Property | |
| ΔfG° | -224.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.738 | Crippen Calculated Property | |
| McVol | 120.160 | ml/mol | McGowan Calculated Property |
| Pc | 3096.73 | kPa | Joback Calculated Property |
| Inp | [1026.00; 1026.00] |
|
|
| Inp | 1026.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Tboil | 437.07 | K | Relay (1.0) Calculated Property |
| Tc | 649.09 | K | Relay (1.0) Calculated Property |
| Tfus | 217.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.425 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [150.16; 415.77] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.90500e+01 | |||
| Coefficient B | 9.07720e-01 | |||
| Coefficient C | -5.49800e-04 | |||
| Coefficient D | 1.16900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 150.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 198.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 241.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 278.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 311.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 339.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 363.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 384.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 401.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 415.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024867; 0.0004430] | Pa×s | [241.76; 461.54] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.61978e+00 | |||
| Coefficient B | 8.75890e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 241.76 | |||
| Temperature range, max. | 461.54 | |||
| η | 0.0024867 | Pa×s | 241.76 | Calculated Property |
| η | 0.0017835 | Pa×s | 266.18 | Calculated Property |
| η | 0.0013526 | Pa×s | 290.60 | Calculated Property |
| η | 0.0010708 | Pa×s | 315.02 | Calculated Property |
| η | 0.0008767 | Pa×s | 339.44 | Calculated Property |
| η | 0.0007373 | Pa×s | 363.86 | Calculated Property |
| η | 0.0006337 | Pa×s | 388.28 | Calculated Property |
| η | 0.0005545 | Pa×s | 412.70 | Calculated Property |
| η | 0.0004925 | Pa×s | 437.12 | Calculated Property |
| η | 0.0004430 | Pa×s | 461.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, trans-4-methylcyclohexyl ester.
Sources
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