Chemical Properties of Dimethylmalonic acid, heptadecyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C31H52O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-29(32)31(4,5)30(33)36-28-24-21-20-23-27(28)35-26(2)3/h20-21,23-24,26H,6-19,22,25H2,1-5H3

InChI Key

VGXOFRSHXRJYRL-UHFFFAOYSA-N

Formula

C31H52O5

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

504.74

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2956		Relay (1.0) Calculated Property
ΔfG°	-259.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1204.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.52	kJ/mol	Joback Calculated Property
ΔvapH°	133.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-7.71		Relay (1.0) Calculated Property
logPoct/wat	8.820		Crippen Calculated Property
McVol	444.640	ml/mol	McGowan Calculated Property
Pc	701.35	kPa	Joback Calculated Property
Inp	[3276.00; 3276.00]
Inp	3276.00		NIST
Inp	3276.00		NIST
Tboil	680.91	K	Relay (1.0) Calculated Property
Tc	903.45	K	Relay (1.0) Calculated Property
Tfus	318.67	K	Relay (1.0) Calculated Property
Vc	1.686	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1588.64; 1665.04]	J/mol×K	[1111.67; 1378.31]
Cp,gas	1588.64	J/mol×K	1111.67	Joback Calculated Property
Cp,gas	1606.61	J/mol×K	1156.11	Joback Calculated Property
Cp,gas	1622.30	J/mol×K	1200.55	Joback Calculated Property
Cp,gas	1635.87	J/mol×K	1244.99	Joback Calculated Property
Cp,gas	1647.42	J/mol×K	1289.43	Joback Calculated Property
Cp,gas	1657.10	J/mol×K	1333.87	Joback Calculated Property
Cp,gas	1665.04	J/mol×K	1378.31	Joback Calculated Property
η	[0.0000051; 0.0000986]	Pa×s	[632.04; 1111.67]
η	0.0000986	Pa×s	632.04	Joback Calculated Property
η	0.0000455	Pa×s	711.98	Joback Calculated Property
η	0.0000246	Pa×s	791.92	Joback Calculated Property
η	0.0000149	Pa×s	871.86	Joback Calculated Property
η	0.0000098	Pa×s	951.79	Joback Calculated Property
η	0.0000069	Pa×s	1031.73	Joback Calculated Property
η	0.0000051	Pa×s	1111.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, heptadecyl 2-isopropoxyphenyl 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.