Chemical Properties of Succinic acid, 2-bromophenethyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H27BrO4/c1-4-7-17(14(2)3)24-19(22)11-10-18(21)23-13-12-15-8-5-6-9-16(15)20/h5-6,8-9,14,17H,4,7,10-13H2,1-3H3

InChI Key

WUESHRMKXAXNTM-UHFFFAOYSA-N

Formula

C19H27BrO4

SMILES

CCCC(OC(=O)CCC(=O)OCCc1ccccc1Br)C(C)C

Molecular Weight¹

399.32

• 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	0.8489		Relay (1.0) Calculated Property
ΔfG°	-246.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-802.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.43	kJ/mol	Joback Calculated Property
ΔvapH°	104.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-5.16		Relay (1.0) Calculated Property
logPoct/wat	4.683		Crippen Calculated Property
McVol	287.190	ml/mol	McGowan Calculated Property
Pc	1539.08	kPa	Joback Calculated Property
Inp	[2474.00; 2474.00]
Inp	2474.00		NIST
Inp	2474.00		NIST
Tboil	658.07	K	Relay (1.0) Calculated Property
Tc	840.62	K	Relay (1.0) Calculated Property
Tfus	290.13	K	Relay (1.0) Calculated Property
Vc	1.021	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[860.39; 930.14]	J/mol×K	[883.64; 1098.00]
Cp,gas	860.39	J/mol×K	883.64	Joback Calculated Property
Cp,gas	874.83	J/mol×K	919.37	Joback Calculated Property
Cp,gas	888.10	J/mol×K	955.09	Joback Calculated Property
Cp,gas	900.24	J/mol×K	990.82	Joback Calculated Property
Cp,gas	911.27	J/mol×K	1026.55	Joback Calculated Property
Cp,gas	921.22	J/mol×K	1062.27	Joback Calculated Property
Cp,gas	930.14	J/mol×K	1098.00	Joback Calculated Property
η	[0.0000417; 0.0005344]	Pa×s	[516.95; 883.64]
η	0.0005344	Pa×s	516.95	Joback Calculated Property
η	0.0002789	Pa×s	578.07	Joback Calculated Property
η	0.0001649	Pa×s	639.18	Joback Calculated Property
η	0.0001068	Pa×s	700.30	Joback Calculated Property
η	0.0000742	Pa×s	761.41	Joback Calculated Property
η	0.0000544	Pa×s	822.52	Joback Calculated Property
η	0.0000417	Pa×s	883.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-bromophenethyl 2-methylhex-3-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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