Chemical Properties of Butanedioic acid, dimethyl ester (CAS 106-65-0)

InChI

InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3

InChI Key

MUXOBHXGJLMRAB-UHFFFAOYSA-N

Formula

C6H10O4

SMILES

COC(=O)CCC(=O)OC

Molecular Weight¹

146.14

CAS

106-65-0

Other Names

• 1,4-butanedioic acid, dimethyl ester
• CH3OC(O)CH2CH2C(O)OCH3
• DBE-4
• Dimethyl butanedioate
• Dimethyl ester of succinic acid
• Dimethyl succinate
• Methyl succinate
• Succinic acid, dimethyl ester
• dimethyl 1,4-butanedioate

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔcH°solid	-2959.00	kJ/mol	NIST
ΔfG°	-468.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-656.77	kJ/mol	Joback Calculated Property
ΔfusH°	16.87	kJ/mol	Joback Calculated Property
ΔvapH°	[60.90; 62.40]	kJ/mol
ΔvapH°	61.00 ± 0.30	kJ/mol	NIST
ΔvapH°	61.70 ± 0.40	kJ/mol	NIST
ΔvapH°	60.90 ± 0.40	kJ/mol	NIST
ΔvapH°	62.40	kJ/mol	NIST
log10WS	-0.06		Crippen Calculated Property
logPoct/wat	0.113		Crippen Calculated Property
McVol	110.280	ml/mol	McGowan Calculated Property
Pc	3060.00	kPa	Vapor P...
Inp	[169.29; 1035.50]
Inp	1029.00		NIST
Inp	1027.00		NIST
Inp	1026.00		NIST
Inp	997.00		NIST
Inp	995.00		NIST
Inp	994.00		NIST
Inp	999.00		NIST
Inp	1004.00		NIST
Inp	1034.00		NIST
Inp	1000.00		NIST
Inp	1035.50		NIST
Inp	1012.00		NIST
Inp	1014.00		NIST
Inp	1015.00		NIST
Inp	1017.00		NIST
Inp	1034.00		NIST
Inp	1004.00		NIST
Inp	1000.00		NIST
Inp	996.00		NIST
Inp	996.00		NIST
Inp	1030.00		NIST
Inp	1032.00		NIST
Inp	1034.00		NIST
Inp	1035.00		NIST
Inp	1002.00		NIST
Inp	1009.00		NIST
Inp	Outlier 169.29		NIST
Inp	Outlier 169.29		NIST
Inp	1034.00		NIST
Inp	1012.00		NIST
Inp	1035.50		NIST
Inp	1004.00		NIST
I	[1526.00; 1595.00]
I	1566.00		NIST
I	1580.00		NIST
I	1595.00		NIST
I	1576.00		NIST
I	1526.00		NIST
I	1568.00		NIST
I	1558.00		NIST
I	1558.00		NIST
I	1595.00		NIST
I	1526.00		NIST
Tboil	[468.40; 473.20]	K
Tboil	469.80	K	Liquid ...
Tboil	469.20	K	Liquid-...
Tboil	Outlier 473.20	K	NIST
Tboil	469.60	K	NIST
Tboil	469.40 ± 0.80	K	NIST
Tboil	469.60 ± 0.50	K	NIST
Tboil	469.60 ± 0.50	K	NIST
Tboil	469.10 ± 1.00	K	NIST
Tboil	468.50 ± 2.00	K	NIST
Tboil	468.40 ± 2.00	K	NIST
Tc	677.07	K	Joback Calculated Property
Tfus	[290.00; 293.00]	K
Tfus	291.70 ± 2.00	K	NIST
Tfus	291.50 ± 0.60	K	NIST
Tfus	291.40 ± 1.00	K	NIST
Tfus	293.00 ± 1.50	K	NIST
Tfus	291.90 ± 0.60	K	NIST
Tfus	291.40 ± 1.50	K	NIST
Tfus	Outlier 290.00 ± 1.00	K	NIST
Tfus	291.40 ± 1.00	K	NIST
Tfus	292.65 ± 0.50	K	NIST
Tfus	291.20 ± 2.00	K	NIST
Tfus	291.70 ± 2.00	K	NIST
Vc	0.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[236.42; 287.43]	J/mol×K	[489.26; 677.07]
Cp,gas	236.42	J/mol×K	489.26	Joback Calculated Property
Cp,gas	245.69	J/mol×K	520.56	Joback Calculated Property
Cp,gas	254.67	J/mol×K	551.86	Joback Calculated Property
Cp,gas	263.35	J/mol×K	583.16	Joback Calculated Property
Cp,gas	271.71	J/mol×K	614.46	Joback Calculated Property
Cp,gas	279.74	J/mol×K	645.76	Joback Calculated Property
Cp,gas	287.43	J/mol×K	677.07	Joback Calculated Property
η	[0.0002663; 0.0020653]	Pa×s	[301.70; 489.26]
η	0.0020653	Pa×s	301.70	Joback Calculated Property
η	0.0012506	Pa×s	332.96	Joback Calculated Property
η	0.0008254	Pa×s	364.22	Joback Calculated Property
η	0.0005818	Pa×s	395.48	Joback Calculated Property
η	0.0004316	Pa×s	426.74	Joback Calculated Property
η	0.0003335	Pa×s	458.00	Joback Calculated Property
η	0.0002663	Pa×s	489.26	Joback Calculated Property
ΔvapH	49.30	kJ/mol	405.00	NIST
Pvap	[2.00; 8.30]	kPa	[363.39; 393.49]
Pvap	2.00	kPa	363.39	Isobari...
Pvap	5.20	kPa	382.13	Isobari...
Pvap	8.30	kPa	393.49	Isobari...
n0	[1.41969; 1.41969]		[293.15; 293.15]
n0	1.41969		293.15	Phase e...
n0	1.41969		293.15	(Liquid...
n0	1.41969		293.15	(Liquid...

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[348.75; 497.31]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.65135e+01
Coefficient B			-5.37480e+03
Coefficient C			-1.75020e+01
Temperature range, min.			348.75
Temperature range, max.			497.31
Pvap	1.33	kPa	348.75	Calculated Property
Pvap	2.88	kPa	365.26	Calculated Property
Pvap	5.80	kPa	381.76	Calculated Property
Pvap	11.00	kPa	398.27	Calculated Property
Pvap	19.77	kPa	414.78	Calculated Property
Pvap	33.92	kPa	431.28	Calculated Property
Pvap	55.83	kPa	447.79	Calculated Property
Pvap	88.57	kPa	464.30	Calculated Property
Pvap	135.96	kPa	480.80	Calculated Property
Pvap	202.65	kPa	497.31	Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, dimethyl ester.

Mixtures

• Acetic acid + Butanedioic acid, dimethyl ester + Water
• Pentanoic acid, 4-oxo- + Butanedioic acid, dimethyl ester + Water
• Butanedioic acid, dimethyl ester + Water
• Butanoic acid + Butanedioic acid, dimethyl ester + Water
• Butanedioic acid, dimethyl ester + Propanoic acid + Water
• Pentanedioic acid, dimethyl ester + Butanedioic acid, dimethyl ester
• Hexanedioic acid, dimethyl ester + Butanedioic acid, dimethyl ester
• Formic acid + Butanedioic acid, dimethyl ester + Water

Sources

• Crippen Method
• Crippen Method
• Liquid liquid equilibria of the ternary system water + acetic acid + dimethyl succinate
• Phase equilibria of (water + levulinic acid + dibasic esters) ternary systems
• (Liquid + liquid) equilibria of (water + butyric acid + dibasic esters) ternary systems
• (Liquid + liquid) equilibria of (water + propionic acid + dibasic esters) ternary systems
• Isobaric vapor-liquid equilibrium of three binary systems containing dimethyl succinate, dimethyl glutarate and dimethyl adipate at 2, 5.2 and 8.3 kPa
• Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
• Liquid-Liquid Equilibria for Ternary Systems of Water + Formic Acid + Dibasic Esters
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.