Chemical Properties of (1-Methylheptyl)succinic acid, methyl ester

InChI

InChI=1S/C14H26O4/c1-5-6-7-8-9-11(2)12(14(16)18-4)10-13(15)17-3/h11-12H,5-10H2,1-4H3

InChI Key

OZXSVHSKLJJWKD-UHFFFAOYSA-N

Formula

C14H26O4

SMILES

CCCCCCC(C)C(CC(=O)OC)C(=O)OC

Molecular Weight¹

258.35

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-923.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.54	kJ/mol	Joback Calculated Property
ΔvapH°	81.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-3.60		Relay (1.0) Calculated Property
logPoct/wat	2.945		Crippen Calculated Property
McVol	223.000	ml/mol	McGowan Calculated Property
Pc	1660.55	kPa	Joback Calculated Property
Inp	[1664.00; 1666.00]
Inp	1664.00		NIST
Inp	1666.00		NIST
Inp	1664.00		NIST
Tboil	526.96	K	Relay (1.0) Calculated Property
Tc	721.00	K	Relay (1.0) Calculated Property
Tfus	257.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.10; 708.34]	J/mol×K	[671.42; 852.27]
Cp,gas	623.10	J/mol×K	671.42	Joback Calculated Property
Cp,gas	639.24	J/mol×K	701.56	Joback Calculated Property
Cp,gas	654.60	J/mol×K	731.70	Joback Calculated Property
Cp,gas	669.19	J/mol×K	761.84	Joback Calculated Property
Cp,gas	683.00	J/mol×K	791.99	Joback Calculated Property
Cp,gas	696.05	J/mol×K	822.13	Joback Calculated Property
Cp,gas	708.34	J/mol×K	852.27	Joback Calculated Property
η	[0.0001031; 0.0023105]	Pa×s	[361.86; 671.42]
η	0.0023105	Pa×s	361.86	Joback Calculated Property
η	0.0009958	Pa×s	413.45	Joback Calculated Property
η	0.0005173	Pa×s	465.05	Joback Calculated Property
η	0.0003062	Pa×s	516.64	Joback Calculated Property
η	0.0001994	Pa×s	568.23	Joback Calculated Property
η	0.0001395	Pa×s	619.83	Joback Calculated Property
η	0.0001031	Pa×s	671.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1-Methylheptyl)succinic acid, methyl ester.

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.