Chemical Properties of Succinic acid, naphth-2-ylmethyl 4-heptyl ester

InChI

InChI=1S/C22H28O4/c1-3-7-20(8-4-2)26-22(24)14-13-21(23)25-16-17-11-12-18-9-5-6-10-19(18)15-17/h5-6,9-12,15,20H,3-4,7-8,13-14,16H2,1-2H3

InChI Key

MSTLTAUGGPJBPP-UHFFFAOYSA-N

Formula

C22H28O4

SMILES

CCCC(CCC)OC(=O)CCC(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

356.46

• 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

Property	Value	Unit	Source
ΔfusH°	48.62	kJ/mol	Joback Calculated Property
logPoct/wat	5.175		Crippen Calculated Property
McVol	292.500	ml/mol	McGowan Calculated Property
Inp	[2781.00; 2781.00]
Inp	2781.00		NIST
Inp	2781.00		NIST
Tfus	299.46	K	Relay (1.0) Calculated Property

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	[408.84; 958.74]	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			-1.90230e+01
Coefficient B			1.84804e+00
Coefficient C			-1.08788e-03
Coefficient D			2.17600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	408.84	J/mol×K	273.00	Calculated Property
Cp,gas	508.25	J/mol×K	353.78	Calculated Property
Cp,gas	596.48	J/mol×K	434.56	Calculated Property
Cp,gas	674.21	J/mol×K	515.33	Calculated Property
Cp,gas	742.13	J/mol×K	596.11	Calculated Property
Cp,gas	800.94	J/mol×K	676.89	Calculated Property
Cp,gas	851.31	J/mol×K	757.67	Calculated Property
Cp,gas	893.95	J/mol×K	838.44	Calculated Property
Cp,gas	929.52	J/mol×K	919.22	Calculated Property
Cp,gas	958.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008594; 0.0000945]	Pa×s	[479.00; 756.26]	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			-1.30798e+01
Coefficient B			2.88382e+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.			479.00
Temperature range, max.			756.26
η	0.0008594	Pa×s	479.00	Calculated Property
η	0.0005973	Pa×s	509.81	Calculated Property
η	0.0004327	Pa×s	540.61	Calculated Property
η	0.0003246	Pa×s	571.42	Calculated Property
η	0.0002507	Pa×s	602.23	Calculated Property
η	0.0001986	Pa×s	633.04	Calculated Property
η	0.0001608	Pa×s	663.84	Calculated Property
η	0.0001326	Pa×s	694.65	Calculated Property
η	0.0001112	Pa×s	725.46	Calculated Property
η	0.0000945	Pa×s	756.26	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, naphth-2-ylmethyl 4-heptyl 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.