Chemical Properties of Nonanoic acid, heptyl ester (CAS 71605-85-1)

InChI

InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-16(17)18-15-13-11-8-6-4-2/h3-15H2,1-2H3

InChI Key

ARSLOAKOWGOSEX-UHFFFAOYSA-N

Formula

C16H32O2

SMILES

CCCCCCCCC(=O)OCCCCCCC

Molecular Weight¹

256.42

CAS

71605-85-1

Other Names

• heptyl nonan-1-oate
• heptyl nonanoate

• 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).
• P_vap : Vapor 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°	-150.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-618.37	kJ/mol	Joback Calculated Property
ΔfusH°	39.98	kJ/mol	Joback Calculated Property
ΔvapH°	60.37	kJ/mol	Joback Calculated Property
log10WS	-5.38		Crippen Calculated Property
logPoct/wat	5.251		Crippen Calculated Property
McVol	243.740	ml/mol	McGowan Calculated Property
Pc	1363.65	kPa	Joback Calculated Property
Inp	[1779.00; 1779.00]
Inp	1779.00		NIST
Inp	1779.00		NIST
Tboil	641.77	K	Joback Calculated Property
Tc	809.14	K	Joback Calculated Property
Tfus	257.61 ± 0.20	K	NIST
Vc	0.956	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[675.85; 772.16]	J/mol×K	[641.77; 809.14]
Cp,gas	675.85	J/mol×K	641.77	Joback Calculated Property
Cp,gas	693.74	J/mol×K	669.66	Joback Calculated Property
Cp,gas	710.87	J/mol×K	697.56	Joback Calculated Property
Cp,gas	727.27	J/mol×K	725.45	Joback Calculated Property
Cp,gas	742.94	J/mol×K	753.35	Joback Calculated Property
Cp,gas	757.90	J/mol×K	781.24	Joback Calculated Property
Cp,gas	772.16	J/mol×K	809.14	Joback Calculated Property
η	[0.0001221; 0.0024033]	Pa×s	[342.24; 641.77]
η	0.0024033	Pa×s	342.24	Joback Calculated Property
η	0.0010661	Pa×s	392.16	Joback Calculated Property
η	0.0005682	Pa×s	442.08	Joback Calculated Property
η	0.0003441	Pa×s	492.00	Joback Calculated Property
η	0.0002286	Pa×s	541.93	Joback Calculated Property
η	0.0001627	Pa×s	591.85	Joback Calculated Property
η	0.0001221	Pa×s	641.77	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[432.52; 607.02]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49106e+01
Coefficient B			-4.87568e+03
Coefficient C			-9.90960e+01
Temperature range, min.			432.52
Temperature range, max.			607.02
Pvap	1.33	kPa	432.52	Calculated Property
Pvap	2.98	kPa	451.91	Calculated Property
Pvap	6.12	kPa	471.30	Calculated Property
Pvap	11.70	kPa	490.69	Calculated Property
Pvap	21.05	kPa	510.08	Calculated Property
Pvap	35.93	kPa	529.46	Calculated Property
Pvap	58.55	kPa	548.85	Calculated Property
Pvap	91.65	kPa	568.24	Calculated Property
Pvap	138.44	kPa	587.63	Calculated Property
Pvap	202.64	kPa	607.02	Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, heptyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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