Chemical Properties of tert-Butyldimethylsilyl heptadecyl phthalate

InChI

InChI=1S/C31H54O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-29(32)27-24-21-22-25-28(27)30(33)35-36(5,6)31(2,3)4/h21-22,24-25H,7-20,23,26H2,1-6H3

InChI Key

CVYVHAOEXXLMCW-UHFFFAOYSA-N

Formula

C31H54O4Si

SMILES

CCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

518.84

Other Names

• 1,2-Benzenedicarboxylic acid, heptadecyl tert-butyldimethylsilyl ester

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• 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	1.2966		Relay (1.0) Calculated Property
ΔfH°gas	-1146.05	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	127.21	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.57		Relay (1.0) Calculated Property
logPoct/wat	9.877		Crippen Calculated Property
Pc	218.47	kPa	Relay (1.0-beta) Calculated Property
Inp	[3372.00; 3372.00]
Inp	3372.00		NIST
Inp	3372.00		NIST
Tboil	694.44	K	Relay (1.0) Calculated Property
Tc	921.16	K	Relay (1.0) Calculated Property
Tfus	289.33	K	Relay (1.0) Calculated Property
Vc	1.740	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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.

Similar Compounds

Find more compounds similar to tert-Butyldimethylsilyl heptadecyl phthalate.

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
• 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.