Chemical Properties of Succinic acid, 2-methylpent-3-yl hept-1,6-dien-4-yl ester

InChI

InChI=1S/C17H28O4/c1-6-9-14(10-7-2)20-16(18)11-12-17(19)21-15(8-3)13(4)5/h6-7,13-15H,1-2,8-12H2,3-5H3

InChI Key

BTCMHWDKOYUBSN-UHFFFAOYSA-N

Formula

C17H28O4

SMILES

C=CCC(CC=C)OC(=O)CCC(=O)OC(CC)C(C)C

Molecular Weight¹

296.40

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.39	kJ/mol	Joback Calculated Property
logPoct/wat	3.808		Crippen Calculated Property
McVol	256.670	ml/mol	McGowan Calculated Property
Inp	[1808.00; 1808.00]
Inp	1808.00		NIST
Inp	1808.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[378.23; 857.19]	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			2.72250e+01
Coefficient B			1.48696e+00
Coefficient C			-7.67200e-04
Coefficient D			1.10200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.23	J/mol×K	273.00	Calculated Property
Cp,gas	462.14	J/mol×K	353.78	Calculated Property
Cp,gas	537.56	J/mol×K	434.56	Calculated Property
Cp,gas	604.84	J/mol×K	515.33	Calculated Property
Cp,gas	664.34	J/mol×K	596.11	Calculated Property
Cp,gas	716.39	J/mol×K	676.89	Calculated Property
Cp,gas	761.36	J/mol×K	757.67	Calculated Property
Cp,gas	799.58	J/mol×K	838.44	Calculated Property
Cp,gas	831.41	J/mol×K	919.22	Calculated Property
Cp,gas	857.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056632; 0.0000965]	Pa×s	[317.49; 614.73]	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			-1.35953e+01
Coefficient B			2.67374e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			317.49
Temperature range, max.			614.73
η	0.0056632	Pa×s	317.49	Calculated Property
η	0.0025613	Pa×s	350.52	Calculated Property
η	0.0013280	Pa×s	383.54	Calculated Property
η	0.0007641	Pa×s	416.57	Calculated Property
η	0.0004769	Pa×s	449.59	Calculated Property
η	0.0003174	Pa×s	482.62	Calculated Property
η	0.0002226	Pa×s	515.65	Calculated Property
η	0.0001629	Pa×s	548.67	Calculated Property
η	0.0001236	Pa×s	581.70	Calculated Property
η	0.0000965	Pa×s	614.73	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylpent-3-yl hept-1,6-dien-4-yl ester.

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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