Chemical Properties of trans-3,4-Dimethylbutyrolactone

InChI

InChI=1S/C6H10O2/c1-4-3-8-6(7)5(4)2/h4-5H,3H2,1-2H3/t4-,5+/m0/s1

InChI Key

URIHWCCVKZSTMD-UHNVWZDZSA-N

Formula

C6H10O2

SMILES

C[C@H]1COC(=O)[C@@H]1C

Molecular Weight¹

114.14

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[127.92; 323.38]	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			-2.14600e+01
Coefficient B			6.43440e-01
Coefficient C			-3.72800e-04
Coefficient D			7.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.92	J/mol×K	273.00	Calculated Property
Cp,gas	162.80	J/mol×K	353.78	Calculated Property
Cp,gas	193.84	J/mol×K	434.56	Calculated Property
Cp,gas	221.28	J/mol×K	515.33	Calculated Property
Cp,gas	245.35	J/mol×K	596.11	Calculated Property
Cp,gas	266.28	J/mol×K	676.89	Calculated Property
Cp,gas	284.32	J/mol×K	757.67	Calculated Property
Cp,gas	299.69	J/mol×K	838.44	Calculated Property
Cp,gas	312.63	J/mol×K	919.22	Calculated Property
Cp,gas	323.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010981; 0.0003561]	Pa×s	[213.41; 409.71]	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			-9.16454e+00
Coefficient B			5.01590e+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.			213.41
Temperature range, max.			409.71
η	0.0010981	Pa×s	213.41	Calculated Property
η	0.0008831	Pa×s	235.22	Calculated Property
η	0.0007369	Pa×s	257.03	Calculated Property
η	0.0006326	Pa×s	278.84	Calculated Property
η	0.0005552	Pa×s	300.66	Calculated Property
η	0.0004959	Pa×s	322.47	Calculated Property
η	0.0004494	Pa×s	344.28	Calculated Property
η	0.0004120	Pa×s	366.09	Calculated Property
η	0.0003815	Pa×s	387.90	Calculated Property
η	0.0003561	Pa×s	409.71	Calculated Property

Similar Compounds

Find more compounds similar to trans-3,4-Dimethylbutyrolactone.

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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