Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl propyl ester

InChI

InChI=1S/C17H21BrO4/c1-2-11-21-16(19)14-5-3-4-6-15(14)17(20)22-13-9-7-12(18)8-10-13/h7-10,14-15H,2-6,11H2,1H3

InChI Key

FWTBLERNEFIDDW-UHFFFAOYSA-N

Formula

C17H21BrO4

SMILES

CCCOC(=O)C1CCCCC1C(=O)Oc1ccc(Br)cc1

Molecular Weight¹

369.25

• 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°	-241.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-598.44	kJ/mol	Joback Calculated Property
ΔfusH°	37.20	kJ/mol	Joback Calculated Property
ΔvapH°	81.24	kJ/mol	Joback Calculated Property
log10WS	-4.99		Crippen Calculated Property
logPoct/wat	4.114		Crippen Calculated Property
McVol	248.150	ml/mol	McGowan Calculated Property
Pc	2064.24	kPa	Joback Calculated Property
Inp	[2451.00; 2451.00]
Inp	2451.00		NIST
Inp	2451.00		NIST
Tboil	853.64	K	Joback Calculated Property
Tc	1089.22	K	Joback Calculated Property
Tfus	527.55	K	Joback Calculated Property
Vc	0.921	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[741.69; 810.64]	J/mol×K	[853.64; 1089.22]
Cp,gas	741.69	J/mol×K	853.64	Joback Calculated Property
Cp,gas	756.86	J/mol×K	892.90	Joback Calculated Property
Cp,gas	770.52	J/mol×K	932.17	Joback Calculated Property
Cp,gas	782.70	J/mol×K	971.43	Joback Calculated Property
Cp,gas	793.43	J/mol×K	1010.69	Joback Calculated Property
Cp,gas	802.73	J/mol×K	1049.95	Joback Calculated Property
Cp,gas	810.64	J/mol×K	1089.22	Joback Calculated Property
η	[0.0000895; 0.0006752]	Pa×s	[527.55; 853.64]
η	0.0006752	Pa×s	527.55	Joback Calculated Property
η	0.0004119	Pa×s	581.90	Joback Calculated Property
η	0.0002734	Pa×s	636.25	Joback Calculated Property
η	0.0001936	Pa×s	690.60	Joback Calculated Property
η	0.0001442	Pa×s	744.94	Joback Calculated Property
η	0.0001117	Pa×s	799.29	Joback Calculated Property
η	0.0000895	Pa×s	853.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl propyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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