Chemical Properties of Nonyl acrylate (CAS 2664-55-3)

InChI

InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h4H,2-3,5-11H2,1H3

InChI Key

MDYPDLBFDATSCF-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

C=CC(=O)OCCCCCCCCC

Molecular Weight¹

198.30

CAS

2664-55-3

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.6948		Relay (1.0) Calculated Property
ΔfH°gas	-494.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.93	kJ/mol	Joback Calculated Property
ΔvapH°	66.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-4.25		Relay (1.0) Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[1373.00; 1374.00]
Inp	1373.00		NIST
Inp	1374.00		NIST
Ip	[1689.00; 1695.00]
Ip	1689.00		NIST
Ip	1695.00		NIST
Tboil	507.81	K	Relay (1.0) Calculated Property
Tc	699.12	K	Relay (1.0) Calculated Property
Tfus	[236.50; 236.50]	K
Tfus	236.50	K	NIST
Tfus	236.50 ± 0.10	K	NIST
Vc	0.701	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	417.90	J/mol×K	298.15	NIST
ΔfusH	[23.36; 23.36]	kJ/mol	[236.50; 236.50]
ΔfusH	23.36	kJ/mol	236.50	NIST
ΔfusH	23.36	kJ/mol	236.50	NIST
ΔfusH	23.36	kJ/mol	236.50	NIST
ΔfusS	98.80	J/mol×K	236.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[266.58; 618.02]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.43980e+01
Coefficient B			1.06902e+00
Coefficient C			-5.57300e-04
Coefficient D			9.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.58	J/mol×K	273.00	Calculated Property
Cp,gas	326.91	J/mol×K	353.78	Calculated Property
Cp,gas	381.25	J/mol×K	434.56	Calculated Property
Cp,gas	429.88	J/mol×K	515.33	Calculated Property
Cp,gas	473.08	J/mol×K	596.11	Calculated Property
Cp,gas	511.16	J/mol×K	676.89	Calculated Property
Cp,gas	544.41	J/mol×K	757.67	Calculated Property
Cp,gas	573.10	J/mol×K	838.44	Calculated Property
Cp,gas	597.54	J/mol×K	919.22	Calculated Property
Cp,gas	618.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0110257; 0.0002332]	Pa×s	[236.50; 489.33]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.19702e+01
Coefficient B			1.76492e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			236.50
Temperature range, max.			489.33
η	0.0110257	Pa×s	236.50	Calculated Property
η	0.0049923	Pa×s	264.59	Calculated Property
η	0.0026318	Pa×s	292.69	Calculated Property
η	0.0015520	Pa×s	320.78	Calculated Property
η	0.0009965	Pa×s	348.87	Calculated Property
η	0.0006835	Pa×s	376.96	Calculated Property
η	0.0004940	Pa×s	405.06	Calculated Property
η	0.0003724	Pa×s	433.15	Calculated Property
η	0.0002906	Pa×s	461.24	Calculated Property
η	0.0002332	Pa×s	489.33	Calculated Property

Similar Compounds

Find more compounds similar to Nonyl acrylate.

Sources

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

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