Chemical Properties of n-Hexyl acrylate (CAS 2499-95-8)

InChI

InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3

InChI Key

LNMQRPPRQDGUDR-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

C=CC(=O)OCCCCCC

Molecular Weight¹

156.22

CAS

2499-95-8

Other Names

• 2-Propenoic acid, hexyl ester
• 2-Propenoic acid,n-hexyl ester
• Acrylic acid, hexyl ester
• Ageflex FA-6
• Ageflex N-HA
• Hexyl 2-propenoate
• Hexyl acrylate
• NSC 11786

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : 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°	-121.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-348.46	kJ/mol	Joback Calculated Property
ΔfusH°	20.57	kJ/mol	Joback Calculated Property
ΔvapH°	44.11	kJ/mol	Joback Calculated Property
log10WS	-2.31		Crippen Calculated Property
logPoct/wat	2.296		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2515.07	kPa	Joback Calculated Property
Inp	[1066.00; 1077.00]
Inp	1075.00		NIST
Inp	1075.00		NIST
Inp	1073.00		NIST
Inp	1073.00		NIST
Inp	1077.00		NIST
Inp	1066.00		NIST
Inp	1068.00		NIST
Inp	1068.00		NIST
I	[1362.00; 1392.00]
I	1370.00		NIST
I	1374.00		NIST
I	1388.00		NIST
I	1392.00		NIST
I	1362.00		NIST
Tboil	478.29	K	Joback Calculated Property
Tc	655.34	K	Joback Calculated Property
Tfus	261.59	K	Joback Calculated Property
Vc	0.544	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.44; 374.26]	J/mol×K	[478.29; 655.34]
Cp,gas	305.44	J/mol×K	478.29	Joback Calculated Property
Cp,gas	318.12	J/mol×K	507.80	Joback Calculated Property
Cp,gas	330.31	J/mol×K	537.31	Joback Calculated Property
Cp,gas	342.00	J/mol×K	566.81	Joback Calculated Property
Cp,gas	353.22	J/mol×K	596.32	Joback Calculated Property
Cp,gas	363.97	J/mol×K	625.83	Joback Calculated Property
Cp,gas	374.26	J/mol×K	655.34	Joback Calculated Property
η	[0.0002419; 0.0030378]	Pa×s	[261.59; 478.29]
η	0.0030378	Pa×s	261.59	Joback Calculated Property
η	0.0015428	Pa×s	297.71	Joback Calculated Property
η	0.0009072	Pa×s	333.82	Joback Calculated Property
η	0.0005918	Pa×s	369.94	Joback Calculated Property
η	0.0004165	Pa×s	406.06	Joback Calculated Property
η	0.0003104	Pa×s	442.17	Joback Calculated Property
η	0.0002419	Pa×s	478.29	Joback Calculated Property
ΔvapH	48.20	kJ/mol	401.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[354.34; 489.46]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58377e+01
Coefficient B			-4.40236e+03
Coefficient C			-7.12340e+01
Temperature range, min.			354.34
Temperature range, max.			489.46
Pvap	1.33	kPa	354.34	Calculated Property
Pvap	2.92	kPa	369.35	Calculated Property
Pvap	5.92	kPa	384.37	Calculated Property
Pvap	11.27	kPa	399.38	Calculated Property
Pvap	20.26	kPa	414.39	Calculated Property
Pvap	34.69	kPa	429.41	Calculated Property
Pvap	56.88	kPa	444.42	Calculated Property
Pvap	89.77	kPa	459.43	Calculated Property
Pvap	136.93	kPa	474.45	Calculated Property
Pvap	202.64	kPa	489.46	Calculated Property

Similar Compounds

Find more compounds similar to n-Hexyl acrylate.

Sources

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

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