Chemical Properties of Acetic acid, 3-methylpentyl ester (CAS 35897-13-3)

InChI

InChI=1S/C8H16O2/c1-4-7(2)5-6-10-8(3)9/h7H,4-6H2,1-3H3

InChI Key

NFYJZIICTJCGOR-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCC(C)CCOC(C)=O

Molecular Weight¹

144.21

CAS

35897-13-3

Other Names

• 3-methylpentyl acetate

• 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°	-219.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-458.53	kJ/mol	Joback Calculated Property
ΔfusH°	15.74	kJ/mol	Joback Calculated Property
ΔvapH°	42.17	kJ/mol	Joback Calculated Property
log10WS	-1.79		Crippen Calculated Property
logPoct/wat	1.986		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2679.08	kPa	Joback Calculated Property
Inp	[980.20; 993.00]
Inp	993.00		NIST
Inp	980.20		NIST
Inp	980.20		NIST
Inp	993.00		NIST
Tboil	458.29	K	Joback Calculated Property
Tc	637.16	K	Joback Calculated Property
Tfus	237.08	K	Joback Calculated Property
Vc	0.501	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[279.83; 348.57]	J/mol×K	[458.29; 637.16]
Cp,gas	279.83	J/mol×K	458.29	Joback Calculated Property
Cp,gas	292.41	J/mol×K	488.10	Joback Calculated Property
Cp,gas	304.54	J/mol×K	517.91	Joback Calculated Property
Cp,gas	316.22	J/mol×K	547.72	Joback Calculated Property
Cp,gas	327.44	J/mol×K	577.53	Joback Calculated Property
Cp,gas	338.23	J/mol×K	607.34	Joback Calculated Property
Cp,gas	348.57	J/mol×K	637.16	Joback Calculated Property
η	[0.0002420; 0.0048246]	Pa×s	[237.08; 458.29]
η	0.0048246	Pa×s	237.08	Joback Calculated Property
η	0.0020946	Pa×s	273.95	Joback Calculated Property
η	0.0011084	Pa×s	310.82	Joback Calculated Property
η	0.0006713	Pa×s	347.69	Joback Calculated Property
η	0.0004476	Pa×s	384.55	Joback Calculated Property
η	0.0003204	Pa×s	421.42	Joback Calculated Property
η	0.0002420	Pa×s	458.29	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[327.32; 462.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51982e+01
Coefficient B			-3.95841e+03
Coefficient C			-6.18440e+01
Temperature range, min.			327.32
Temperature range, max.			462.22
Pvap	1.33	kPa	327.32	Calculated Property
Pvap	2.96	kPa	342.31	Calculated Property
Pvap	6.05	kPa	357.30	Calculated Property
Pvap	11.56	kPa	372.29	Calculated Property
Pvap	20.79	kPa	387.28	Calculated Property
Pvap	35.52	kPa	402.26	Calculated Property
Pvap	58.01	kPa	417.25	Calculated Property
Pvap	91.04	kPa	432.24	Calculated Property
Pvap	137.96	kPa	447.23	Calculated Property
Pvap	202.65	kPa	462.22	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 3-methylpentyl ester.

Sources

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

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