Chemical Properties of Propylene glycol monobutyrate (s)

InChI

InChI=1S/C7H14O3/c1-3-4-7(9)10-6(2)5-8/h6,8H,3-5H2,1-2H3

InChI Key

RNNACNWQHUTWGB-UHFFFAOYSA-N

Formula

C7H14O3

SMILES

CCCC(=O)OC(C)CO

Molecular Weight¹

146.19

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.50; 407.78]	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			2.55430e+01
Coefficient B			6.53940e-01
Coefficient C			-2.96000e-04
Coefficient D			2.43000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.50	J/mol×K	273.00	Calculated Property
Cp,gas	220.92	J/mol×K	353.78	Calculated Property
Cp,gas	255.81	J/mol×K	434.56	Calculated Property
Cp,gas	287.26	J/mol×K	515.33	Calculated Property
Cp,gas	315.33	J/mol×K	596.11	Calculated Property
Cp,gas	340.10	J/mol×K	676.89	Calculated Property
Cp,gas	361.66	J/mol×K	757.67	Calculated Property
Cp,gas	380.07	J/mol×K	838.44	Calculated Property
Cp,gas	395.42	J/mol×K	919.22	Calculated Property
Cp,gas	407.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0522625; 0.0001956]	Pa×s	[256.80; 475.91]	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			-1.50881e+01
Coefficient B			3.11669e+03
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.			256.80
Temperature range, max.			475.91
η	0.0522625	Pa×s	256.80	Calculated Property
η	0.0182708	Pa×s	281.15	Calculated Property
η	0.0075522	Pa×s	305.49	Calculated Property
η	0.0035566	Pa×s	329.84	Calculated Property
η	0.0018576	Pa×s	354.18	Calculated Property
η	0.0010548	Pa×s	378.53	Calculated Property
η	0.0006413	Pa×s	402.88	Calculated Property
η	0.0004127	Pa×s	427.22	Calculated Property
η	0.0002785	Pa×s	451.57	Calculated Property
η	0.0001956	Pa×s	475.91	Calculated Property

Similar Compounds

Find more compounds similar to Propylene glycol monobutyrate (s).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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