Chemical Properties of Benzene, 1,3-dimethyl- (CAS 108-38-3)

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InChI

InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3

InChI Key

IVSZLXZYQVIEFR-UHFFFAOYSA-N

Formula

C8H10

SMILES

Cc1cccc(C)c1

Molecular Weight¹

106.17

CAS

108-38-3

Other Names

• 1,3-Dimethylbenzene
• 1,3-Xylene
• 1,3-dimethylbenzene (m-xylene)
• 2,4-Xylene
• NSC 61769
• m-Dimethylbenzene
• m-Methyltoluene
• m-Xylene
• m-Xylol
• meta-Xylene

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• PAff: Proton affinity (kJ/mol).
• BasG: Gas basicity (kJ/mol).
• Δ_cH°_liquid: Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• S_Prot: Protonation entropy at 298K (J/mol×K).
• Δ_fG°: Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas: Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid: Liquid phase 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).
• Δ_vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
• IE: Ionization energy (eV).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• Δ_fusS: Entropy of fusion at a given temperature (J/mol×K).
• S°_gas: Molar entropy at standard conditions (J/mol×K).
• S°_liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	812.10	kJ/mol	NIST
PAff	816.70	kJ/mol	NIST
PAff	809.10 ± 1.20	kJ/mol	NIST
BasG	786.20	kJ/mol	NIST
BasG	787.80	kJ/mol	NIST
BasG	782.40 ± 1.80	kJ/mol	NIST
ΔcH°liquid	[-4581.40; -4549.56]	kJ/mol
ΔcH°liquid	-4549.56 ± 0.54	kJ/mol	NIST
ΔcH°liquid	-4551.86 ± 0.63	kJ/mol	NIST
ΔcH°liquid	-4567.60	kJ/mol	NIST
ΔcH°liquid	-4581.40	kJ/mol	NIST
SProt	19.20	J/mol×K	NIST
ΔfG°	119.26	kJ/mol	Joback Calculated Property
ΔfH°gas	17.20 ± 0.75	kJ/mol	NIST
ΔfH°liquid	-25.40 ± 0.75	kJ/mol	NIST
ΔfusH°	10.13	kJ/mol	Joback Calculated Property
ΔvapH°	[36.40; 43.04]	kJ/mol
ΔvapH°	42.68	kJ/mol	NIST
ΔvapH°	42.70	kJ/mol	NIST
ΔvapH°	43.04	kJ/mol	NIST
ΔvapH°	36.40	kJ/mol	NIST
ΔvapH°	42.70 ± 0.10	kJ/mol	NIST
ΔvapH°	42.65	kJ/mol	NIST
ΔvapH°	42.60	kJ/mol	NIST
ΔvapH°	36.40 ± 0.40	kJ/mol	NIST
IE	[8.50; 8.90]	eV
IE	8.55 ± 0.02	eV	NIST
IE	8.56	eV	NIST
IE	8.57 ± 0.01	eV	NIST
IE	Outlier 8.90 ± 0.05	eV	NIST
IE	8.50 ± 0.02	eV	NIST
IE	8.55 ± 0.05	eV	NIST
IE	8.56	eV	NIST
IE	8.56 ± 0.01	eV	NIST
IE	8.56	eV	NIST
IE	8.82	eV	NIST
IE	8.55	eV	NIST
IE	8.71 ± 0.01	eV	NIST
IE	8.75 ± 0.03	eV	NIST
logPoct/wat	2.303		Crippen Calculated Property
Pc	[3343.73; 3541.20]	kPa
Pc	3540.00 ± 40.00	kPa	NIST
Pc	3541.20 ± 5.00	kPa	NIST
Pc	3541.00 ± 6.00	kPa	NIST
Pc	3343.73 ± 151.99	kPa	NIST
Pc	3510.00 ± 3.92	kPa	NIST
S°gas	358.20 ± 1.30	J/mol×K	NIST
S°liquid	253.80	J/mol×K	NIST
S°liquid	252.30	J/mol×K	NIST
Tboil	[409.00; 413.35]	K
Tboil	412.15 ± 0.20	K	NIST
Tboil	412.29 ± 0.15	K	NIST
Tboil	412.30	K	NIST
Tboil	412.30	K	NIST
Tboil	412.20 ± 0.20	K	NIST
Tboil	412.40 ± 0.20	K	NIST
Tboil	412.25 ± 1.00	K	NIST
Tboil	Outlier 409.00 ± 8.00	K	NIST
Tboil	412.23 ± 0.20	K	NIST
Tboil	412.30 ± 0.50	K	NIST
Tboil	412.10 ± 0.40	K	NIST
Tboil	412.00 ± 1.50	K	NIST
Tboil	412.40 ± 0.50	K	NIST
Tboil	412.25 ± 0.02	K	NIST
Tboil	412.40 ± 0.60	K	NIST
Tboil	412.30 ± 0.15	K	NIST
Tboil	412.40 ± 0.50	K	NIST
Tboil	412.35 ± 0.50	K	NIST
Tboil	412.25 ± 0.01	K	NIST
Tboil	412.15 ± 1.00	K	NIST
Tboil	412.26 ± 0.06	K	NIST
Tboil	412.35 ± 0.30	K	NIST
Tboil	412.38 ± 0.10	K	NIST
Tboil	412.22 ± 0.20	K	NIST
Tboil	412.35 ± 0.50	K	NIST
Tboil	412.45 ± 0.20	K	NIST
Tboil	412.65 ± 1.20	K	NIST
Tboil	412.20 ± 0.50	K	NIST
Tboil	412.20 ± 0.50	K	NIST
Tboil	412.20 ± 0.50	K	NIST
Tboil	412.50 ± 0.20	K	NIST
Tboil	412.50 ± 0.30	K	NIST
Tboil	412.45 ± 0.40	K	NIST
Tboil	Outlier 409.00 ± 3.00	K	NIST
Tboil	412.15 ± 0.10	K	NIST
Tboil	412.00 ± 2.00	K	NIST
Tboil	412.15 ± 0.30	K	NIST
Tboil	412.00 ± 2.00	K	NIST
Tboil	412.45 ± 0.50	K	NIST
Tboil	412.45 ± 0.50	K	NIST
Tboil	411.90 ± 0.70	K	NIST
Tboil	413.35 ± 1.50	K	NIST
Tboil	412.40 ± 1.50	K	NIST
Tc	[616.50; 622.20]	K
Tc	617.00 ± 0.50	K	NIST
Tc	617.05 ± 0.10	K	NIST
Tc	616.97 ± 0.10	K	NIST
Tc	616.50 ± 0.15	K	NIST
Tc	620.00 ± 3.00	K	NIST
Tc	617.45 ± 2.00	K	NIST
Tc	616.80 ± 0.60	K	NIST
Tc	Outlier 622.20 ± 6.00	K	NIST
Tc	618.80 ± 2.00	K	NIST
Tfus	[219.55; 226.65]	K
Tfus	225.20 ± 0.15	K	NIST
Tfus	225.80 ± 0.30	K	NIST
Tfus	225.22 ± 0.15	K	NIST
Tfus	225.17 ± 0.01	K	NIST
Tfus	225.25 ± 0.10	K	NIST
Tfus	226.65 ± 0.20	K	NIST
Tfus	225.80 ± 0.50	K	NIST
Tfus	223.85 ± 0.30	K	NIST
Tfus	Outlier 219.55 ± 0.40	K	NIST
Ttriple	219.60 ± 0.30	K	NIST
Vc	0.375	m3/kg-mol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	163.60 ± 1.70	J/mol×K	393.0	NIST
Cp,gas	177.40 ± 1.70	J/mol×K	428.0	NIST
Cp,gas	190.00 ± 1.70	J/mol×K	463.0	NIST
Cp,liquid	[175.30; 199.20]	J/mol×K	[275.30; 336.00]
Cp,liquid	175.30	J/mol×K	275.3	NIST
Cp,liquid	184.50	J/mol×K	298.0	NIST
Cp,liquid	184.63	J/mol×K	298.15	NIST
Cp,liquid	181.55	J/mol×K	298.15	NIST
Cp,liquid	181.48	J/mol×K	298.15	NIST
Cp,liquid	183.18	J/mol×K	298.15	NIST
Cp,liquid	178.20	J/mol×K	303.0	NIST
Cp,liquid	199.20	J/mol×K	336.0	NIST
η	0.0002173	Pa×s	414.1	Joback Calculated Property
ΔfusH	11.57	kJ/mol	225.27	NIST
ΔfusH	11.59	kJ/mol	225.3	NIST
ΔfusH	11.57	kJ/mol	225.3	NIST
ΔvapH	[35.66; 44.70]	kJ/mol	[284.00; 583.50]
ΔvapH	44.70	kJ/mol	284.0	NIST
ΔvapH	43.20	kJ/mol	303.0	NIST
ΔvapH	40.70	kJ/mol	369.5	NIST
ΔvapH	40.40	kJ/mol	373.0	NIST
ΔvapH	39.20	kJ/mol	385.0	NIST
ΔvapH	38.70	kJ/mol	395.5	NIST
ΔvapH	35.66	kJ/mol	412.3	NIST
ΔvapH	37.50	kJ/mol	437.0	NIST
ΔvapH	36.40	kJ/mol	507.5	NIST
ΔvapH	36.20	kJ/mol	583.5	NIST
ΔfusS	51.36	J/mol×K	225.27	NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring)	2
-CH3	2
=CH- (ring)	4

Similar Compounds

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