Chemical Properties of 2,4,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)

InChI

InChI=1S/C16H30O4/c1-11(2)14(17)19-9-13(5)8-16(6,7)10-20-15(18)12(3)4/h11-13H,8-10H2,1-7H3

InChI Key

GVZLNOOLGIOOEC-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

CC(COC(=O)C(C)C)CC(C)(C)COC(=O)C(C)C

Molecular Weight¹

286.41

• 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).
• 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

Property	Value	Unit	Source
ω	0.7321		Relay (1.0) Calculated Property
ΔfH°gas	-1037.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.95	kJ/mol	Joback Calculated Property
ΔvapH°	76.27	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.437		Crippen Calculated Property
McVol	251.180	ml/mol	McGowan Calculated Property
Pc	1370.73	kPa	Joback Calculated Property
Inp	[1572.00; 1572.00]
Inp	1572.00		NIST
Inp	1572.00		NIST
Tboil	538.41	K	Relay (1.0) Calculated Property
Tc	721.69	K	Relay (1.0) Calculated Property
Tfus	258.69	K	Relay (1.0) Calculated Property
Vc	0.937	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[375.17; 864.08]	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			9.64300e+00
Coefficient B			1.55784e+00
Coefficient C			-8.38800e-04
Coefficient D			1.35400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	375.17	J/mol×K	273.00	Calculated Property
Cp,gas	461.78	J/mol×K	353.78	Calculated Property
Cp,gas	539.32	J/mol×K	434.56	Calculated Property
Cp,gas	608.22	J/mol×K	515.33	Calculated Property
Cp,gas	668.90	J/mol×K	596.11	Calculated Property
Cp,gas	721.80	J/mol×K	676.89	Calculated Property
Cp,gas	767.34	J/mol×K	757.67	Calculated Property
Cp,gas	805.95	J/mol×K	838.44	Calculated Property
Cp,gas	838.05	J/mol×K	919.22	Calculated Property
Cp,gas	864.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0083385; 0.0000871]	Pa×s	[312.16; 603.29]	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			-1.42386e+01
Coefficient B			2.95044e+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.			312.16
Temperature range, max.			603.29
η	0.0083385	Pa×s	312.16	Calculated Property
η	0.0034329	Pa×s	344.51	Calculated Property
η	0.0016459	Pa×s	376.86	Calculated Property
η	0.0008864	Pa×s	409.20	Calculated Property
η	0.0005226	Pa×s	441.55	Calculated Property
η	0.0003312	Pa×s	473.90	Calculated Property
η	0.0002225	Pa×s	506.25	Calculated Property
η	0.0001568	Pa×s	538.60	Calculated Property
η	0.0001150	Pa×s	570.95	Calculated Property
η	0.0000871	Pa×s	603.29	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate).

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.