Chemical Properties of Propyl-d1-formate (CAS 60703-00-6)

InChI

InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3/i3D

InChI Key

RMOUBSOVHSONPZ-WFVSFCRTSA-N

Formula

C4H8O2

SMILES

[2H]C(=O)OC(C)C

Molecular Weight¹

89.11

CAS

60703-00-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[100.84; 218.21]	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			2.57000e+00
Coefficient B			4.38040e-01
Coefficient C			-3.09800e-04
Coefficient D			8.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	100.84	J/mol×K	273.00	Calculated Property
Cp,gas	122.63	J/mol×K	353.78	Calculated Property
Cp,gas	141.59	J/mol×K	434.56	Calculated Property
Cp,gas	157.99	J/mol×K	515.33	Calculated Property
Cp,gas	172.12	J/mol×K	596.11	Calculated Property
Cp,gas	184.24	J/mol×K	676.89	Calculated Property
Cp,gas	194.63	J/mol×K	757.67	Calculated Property
Cp,gas	203.57	J/mol×K	838.44	Calculated Property
Cp,gas	211.34	J/mol×K	919.22	Calculated Property
Cp,gas	218.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019700; 0.0002953]	Pa×s	[178.54; 366.60]	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			-9.92910e+00
Coefficient B			6.60490e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			178.54
Temperature range, max.			366.60
η	0.0019700	Pa×s	178.54	Calculated Property
η	0.0013370	Pa×s	199.44	Calculated Property
η	0.0009766	Pa×s	220.33	Calculated Property
η	0.0007533	Pa×s	241.23	Calculated Property
η	0.0006056	Pa×s	262.12	Calculated Property
η	0.0005028	Pa×s	283.02	Calculated Property
η	0.0004282	Pa×s	303.91	Calculated Property
η	0.0003724	Pa×s	324.81	Calculated Property
η	0.0003293	Pa×s	345.71	Calculated Property
η	0.0002953	Pa×s	366.60	Calculated Property

Similar Compounds

Find more compounds similar to Propyl-d1-formate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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