Chemical Properties of Succinic acid, 1-(3-bromophenyl)ethyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H27BrO4/c1-5-7-17(13(2)3)24-19(22)11-10-18(21)23-14(4)15-8-6-9-16(20)12-15/h6,8-9,12-14,17H,5,7,10-11H2,1-4H3

InChI Key

BMOPOIJMYSSEOR-UHFFFAOYSA-N

Formula

C19H27BrO4

SMILES

CCCC(OC(=O)CCC(=O)OC(C)c1cccc(Br)c1)C(C)C

Molecular Weight¹

399.32

• 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).
• 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
ΔfG°	-248.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-689.54	kJ/mol	Joback Calculated Property
ΔfusH°	38.91	kJ/mol	Joback Calculated Property
ΔvapH°	84.41	kJ/mol	Joback Calculated Property
log10WS	-6.10		Crippen Calculated Property
logPoct/wat	5.201		Crippen Calculated Property
McVol	287.190	ml/mol	McGowan Calculated Property
Pc	1548.78	kPa	Joback Calculated Property
Inp	[2378.00; 2378.00]
Inp	2378.00		NIST
Inp	2378.00		NIST
Tboil	883.20	K	Joback Calculated Property
Tc	1099.71	K	Joback Calculated Property
Tfus	501.95	K	Joback Calculated Property
Vc	1.083	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[860.91; 930.84]	J/mol×K	[883.20; 1099.71]
Cp,gas	860.91	J/mol×K	883.20	Joback Calculated Property
Cp,gas	875.47	J/mol×K	919.29	Joback Calculated Property
Cp,gas	888.82	J/mol×K	955.37	Joback Calculated Property
Cp,gas	901.00	J/mol×K	991.46	Joback Calculated Property
Cp,gas	912.04	J/mol×K	1027.54	Joback Calculated Property
Cp,gas	921.97	J/mol×K	1063.63	Joback Calculated Property
Cp,gas	930.84	J/mol×K	1099.71	Joback Calculated Property
η	[0.0000381; 0.0006056]	Pa×s	[501.95; 883.20]
η	0.0006056	Pa×s	501.95	Joback Calculated Property
η	0.0002948	Pa×s	565.49	Joback Calculated Property
η	0.0001659	Pa×s	629.03	Joback Calculated Property
η	0.0001038	Pa×s	692.57	Joback Calculated Property
η	0.0000703	Pa×s	756.12	Joback Calculated Property
η	0.0000505	Pa×s	819.66	Joback Calculated Property
η	0.0000381	Pa×s	883.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(3-bromophenyl)ethyl 2-methylhex-3-yl ester.

Sources

• 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.